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Sample records for net interfacial charges

  1. The net charge at interfaces between insulators

    International Nuclear Information System (INIS)

    Bristowe, N C; Littlewood, P B; Artacho, Emilio

    2011-01-01

    The issue of the net charge at insulating oxide interfaces is briefly reviewed with the ambition of dispelling myths of such charges being affected by covalency and related charge density effects. For electrostatic analysis purposes, the net charge at such interfaces is defined by the counting of discrete electrons and core ion charges, and by the definition of the reference polarization of the separate, unperturbed bulk materials. The arguments are illustrated for the case of a thin film of LaAlO 3 over SrTiO 3 in the absence of free carriers, for which the net charge is exactly 0.5e per interface formula unit, if the polarization response in both materials is referred to zero bulk values. Further consequences of the argument are extracted for structural and chemical alterations of such interfaces, in which internal rearrangements are distinguished from extrinsic alterations (changes of stoichiometry, redox processes), only the latter affecting the interfacial net charge. The arguments are reviewed alongside the proposal of Stengel and Vanderbilt (2009 Phys. Rev. B 80 241103) of using formal polarization values instead of net interfacial charges, based on the interface theorem of Vanderbilt and King-Smith (1993 Phys. Rev. B 48 4442-55). Implications for non-centrosymmetric materials are discussed, as well as for interfaces for which the charge mismatch is an integer number of polarization quanta. (viewpoint)

  2. Net charge fluctuations and local charge compensation

    International Nuclear Information System (INIS)

    Fu Jinghua

    2006-01-01

    We propose net charge fluctuation as a measure of local charge correlation length. It is demonstrated that, in terms of a schematic multiperipheral model, net charge fluctuation satisfies the same Quigg-Thomas relation as satisfied by charge transfer fluctuation. Net charge fluctuations measured in finite rapidity windows depend on both the local charge correlation length and the size of the observation window. When the observation window is larger than the local charge correlation length, the net charge fluctuation only depends on the local charge correlation length, while forward-backward charge fluctuations always have strong dependence on the observation window size. Net charge fluctuations and forward-backward charge fluctuations measured in the present heavy ion experiments show characteristic features similar to those from multiperipheral models. But the data cannot all be understood within this simple model

  3. Effects of image charges, interfacial charge discreteness, and surface roughness on the zeta potential of spherical electric double layers.

    Science.gov (United States)

    Gan, Zecheng; Xing, Xiangjun; Xu, Zhenli

    2012-07-21

    We investigate the effects of image charges, interfacial charge discreteness, and surface roughness on spherical electric double layer structures in electrolyte solutions with divalent counterions in the setting of the primitive model. By using Monte Carlo simulations and the image charge method, the zeta potential profile and the integrated charge distribution function are computed for varying surface charge strengths and salt concentrations. Systematic comparisons were carried out between three distinct models for interfacial charges: (1) SURF1 with uniform surface charges, (2) SURF2 with discrete point charges on the interface, and (3) SURF3 with discrete interfacial charges and finite excluded volume. By comparing the integrated charge distribution function and the zeta potential profile, we argue that the potential at the distance of one ion diameter from the macroion surface is a suitable location to define the zeta potential. In SURF2 model, we find that image charge effects strongly enhance charge inversion for monovalent interfacial charges, and strongly suppress charge inversion for multivalent interfacial charges. For SURF3, the image charge effect becomes much smaller. Finally, with image charges in action, we find that excluded volumes (in SURF3) suppress charge inversion for monovalent interfacial charges and enhance charge inversion for multivalent interfacial charges. Overall, our results demonstrate that all these aspects, i.e., image charges, interfacial charge discreteness, their excluding volumes, have significant impacts on zeta potentials of electric double layers.

  4. Net-baryon-, net-proton-, and net-charge kurtosis in heavy-ion collisions within a relativistic transport approach

    International Nuclear Information System (INIS)

    Nahrgang, Marlene; Schuster, Tim; Stock, Reinhard; Mitrovski, Michael; Bleicher, Marcus

    2012-01-01

    We explore the potential of net-baryon, net-proton and net-charge kurtosis measurements to investigate the properties of hot and dense matter created in relativistic heavy-ion collisions. Contrary to calculations in a grand-canonical ensemble we explicitly take into account exact electric and baryon charge conservation on an event-by-event basis. This drastically limits the width of baryon fluctuations. A simple model to account for this is to assume a grand-canonical distribution with a sharp cut-off at the tails. We present baseline predictions of the energy dependence of the net-baryon, net-proton and net-charge kurtosis for central (b≤2.75 fm) Pb+Pb/Au+Au collisions from E lab =2A GeV to √(s NN )=200 GeV from the UrQMD model. While the net-charge kurtosis is compatible with values around zero, the net-baryon number decreases to large negative values with decreasing beam energy. The net-proton kurtosis becomes only slightly negative for low √(s NN ). (orig.)

  5. First result of net-charge jet-correlations from STAR

    International Nuclear Information System (INIS)

    Wang, Q.

    2011-01-01

    We presented results on azimuthal correlation of net-charge with high ρ T trigger particles. It is found that the net-charge correlation shape is similar to that of total-charge. On the near-side, the net-charge and total-charge ρ T spectra have similar shape and both are harder than the inclusives. On the away-side, the correlated spectra are not much harder than the inclusives, and the net-charge/total-charge ratio increases with ρ T and is similar to the inclusive ratio. (author)

  6. Higher-moment measurements of net-kaon, net-charge and net-proton multiplicity distributions at STAR

    International Nuclear Information System (INIS)

    Sarkar, Amal

    2014-01-01

    In this paper, we report the measurements of the various moments, such as mean, standard deviation (σ), skewness (S) and kurtosis (κ) of the net-kaon, net-charge and net-proton multiplicity distributions at mid-rapidity in Au + Au collisions from √(s NN )=7.7 to 200 GeV with the STAR experiment at RHIC. This work has been done with the aim to locate the critical point on the QCD phase diagram. These moments and their products are related to the thermodynamic susceptibilities of conserved quantities such as net baryon number, net charge, and net strangeness as well as to the correlation length of the system which diverges in an ideal infinite thermodynamic system at the critical point. For a finite system, existing for a finite time, a non-monotonic behavior of these variables would indicate the presence of the critical point. Furthermore, we also present the moment products Sσ, κσ 2 of net-kaon, net-charge and net-proton multiplicity distributions as a function of collision centrality and energy. The energy and the centrality dependence of higher moments and their products have been compared with different models

  7. Nanoscale smoothing and the analysis of interfacial charge and dipolar densities

    International Nuclear Information System (INIS)

    Junquera, Javier; Cohen, Morrel H; Rabe, Karin M

    2007-01-01

    The interface properties of interest in multilayers include interfacial charge densities, dipole densities, band offsets, and screening lengths, among others. Most such properties are inaccessible to direct measurements, but are key to understanding the physics of the multilayers. They are contained within first-principles electronic structure computations but are buried within the vast amount of quantitative information those computations generate. Thus far, they have been extracted from the numerical data by heuristic nanosmoothing procedures which do not necessarily provide results independent of the smoothing process. In the present paper we develop the theory of nanosmoothing, establishing procedures for both unpolarized and polarized systems which yield interfacial charge and dipole densities and band offsets invariant to the details of the smoothing procedures when the criteria we have established are met. We show also that dipolar charge densities, i.e. the densities of charge transferred across the interface, and screening lengths are not invariant. We illustrate our procedure with a toy model in which real, transversely averaged charge densities are replaced by sums of Gaussians. (topical review)

  8. Interfacial Charge Transfer States in Condensed Phase Systems

    Science.gov (United States)

    Vandewal, Koen

    2016-05-01

    Intermolecular charge transfer (CT) states at the interface between electron-donating (D) and electron-accepting (A) materials in organic thin films are characterized by absorption and emission bands within the optical gap of the interfacing materials. CT states efficiently generate charge carriers for some D-A combinations, and others show high fluorescence quantum efficiencies. These properties are exploited in organic solar cells, photodetectors, and light-emitting diodes. This review summarizes experimental and theoretical work on the electronic structure and interfacial energy landscape at condensed matter D-A interfaces. Recent findings on photogeneration and recombination of free charge carriers via CT states are discussed, and relations between CT state properties and optoelectronic device parameters are clarified.

  9. Interfacial charge distributions in carbon-supported palladium catalysts

    DEFF Research Database (Denmark)

    Rao, Radhika G.; Blume, Raoul; Hansen, Thomas Willum

    2017-01-01

    Controlling the charge transfer between a semiconducting catalyst carrier and the supported transition metal active phase represents an elite strategy for fine turning the electronic structure of the catalytic centers, hence their activity and selectivity. These phenomena have been theoretically...... and experimentally elucidated for oxide supports but remain poorly understood for carbons due to their complex nanoscale structure. Here, we combine advanced spectroscopy and microscopy on model Pd/C samples to decouple the electronic and surface chemistry effects on catalytic performance. Our investigations reveal...... treatments can be used to tune the interfacial charge distribution, hereby providing a strategy to rationally design carbon-supported catalysts.Control over charge transfer in carbon-supported metal nanoparticles is essential for designing new catalysts. Here, the authors show that thermal treatments...

  10. A nanoscale study of charge extraction in organic solar cells: the impact of interfacial molecular configurations.

    Science.gov (United States)

    Tang, Fu-Ching; Wu, Fu-Chiao; Yen, Chia-Te; Chang, Jay; Chou, Wei-Yang; Gilbert Chang, Shih-Hui; Cheng, Horng-Long

    2015-01-07

    In the optimization of organic solar cells (OSCs), a key problem lies in the maximization of charge carriers from the active layer to the electrodes. Hence, this study focused on the interfacial molecular configurations in efficient OSC charge extraction by theoretical investigations and experiments, including small molecule-based bilayer-heterojunction (sm-BLHJ) and polymer-based bulk-heterojunction (p-BHJ) OSCs. We first examined a well-defined sm-BLHJ model system of OSC composed of p-type pentacene, an n-type perylene derivative, and a nanogroove-structured poly(3,4-ethylenedioxythiophene) (NS-PEDOT) hole extraction layer. The OSC with NS-PEDOT shows a 230% increment in the short circuit current density compared with that of the conventional planar PEDOT layer. Our theoretical calculations indicated that small variations in the microscopic intermolecular interaction among these interfacial configurations could induce significant differences in charge extraction efficiency. Experimentally, different interfacial configurations were generated between the photo-active layer and the nanostructured charge extraction layer with periodic nanogroove structures. In addition to pentacene, poly(3-hexylthiophene), the most commonly used electron-donor material system in p-BHJ OSCs was also explored in terms of its possible use as a photo-active layer. Local conductive atomic force microscopy was used to measure the nanoscale charge extraction efficiency at different locations within the nanogroove, thus highlighting the importance of interfacial molecular configurations in efficient charge extraction. This study enriches understanding regarding the optimization of the photovoltaic properties of several types of OSCs by conducting appropriate interfacial engineering based on organic/polymer molecular orientations. The ultimate power conversion efficiency beyond at least 15% is highly expected when the best state-of-the-art p-BHJ OSCs are combined with present arguments.

  11. The role of interfacial water layer in atmospherically relevant charge separation

    Science.gov (United States)

    Bhattacharyya, Indrani

    Charge separation at interfaces is important in various atmospheric processes, such as thunderstorms, lightning, and sand storms. It also plays a key role in several industrial processes, including ink-jet printing and electrostatic separation. Surprisingly, little is known about the underlying physics of these charging phenomena. Since thin films of water are ubiquitous, they may play a role in these charge separation processes. This talk will focus on the experimental investigation of the role of a water adlayer in interfacial charging, with relevance to meteorologically important phenomena, such as atmospheric charging due to wave actions on oceans and sand storms. An ocean wave generates thousands of bubbles, which upon bursting produce numerous large jet droplets and small film droplets that are charged. In the 1960s, Blanchard showed that the jet droplets are positively charged. However, the charge on the film droplets was not known. We designed an experiment to exclusively measure the charge on film droplets generated by bubble bursting on pure water and aqueous salt solution surfaces. We measured their charge to be negative and proposed a model where a slight excess of hydroxide ions in the interfacial water layer is responsible for generating these negatively charged droplets. The findings from this research led to a better understanding of the ionic disposition at the air-water interface. Sand particles in a wind-blown sand layer, or 'saltation' layer, become charged due to collisions, so much so, that it can cause lightning. Silica, being hydrophilic, is coated with a water layer even under low-humidity conditions. To investigate the importance of this water adlayer in charging the silica surfaces, we performed experiments to measure the charge on silica surfaces due to contact and collision processes. In case of contact charging, the maximum charge separation occurred at an optimum relative humidity. On the contrary, in collisional charging process, no

  12. First study of the negative binomial distribution applied to higher moments of net-charge and net-proton multiplicity distributions

    International Nuclear Information System (INIS)

    Tarnowsky, Terence J.; Westfall, Gary D.

    2013-01-01

    A study of the first four moments (mean, variance, skewness, and kurtosis) and their products (κσ 2 and Sσ) of the net-charge and net-proton distributions in Au + Au collisions at √(s NN )=7.7–200 GeV from HIJING simulations has been carried out. The skewness and kurtosis and the collision volume independent products κσ 2 and Sσ have been proposed as sensitive probes for identifying the presence of a QCD critical point. A discrete probability distribution that effectively describes the separate positively and negatively charged particle (or proton and anti-proton) multiplicity distributions is the negative binomial (or binomial) distribution (NBD/BD). The NBD/BD has been used to characterize particle production in high-energy particle and nuclear physics. Their application to the higher moments of the net-charge and net-proton distributions is examined. Differences between κσ 2 and a statistical Poisson assumption of a factor of four (for net-charge) and 40% (for net-protons) can be accounted for by the NBD/BD. This is the first application of the properties of the NBD/BD to describe the behavior of the higher moments of net-charge and net-proton distributions in nucleus–nucleus collisions

  13. Origin of interfacial charging in irradiated silicon nitride capacitors

    International Nuclear Information System (INIS)

    Hughes, R.C.

    1984-01-01

    Many experiments show that when metal-silicon nitride-silicon dioxide-silicon (MNOS) devices are irradiated in short circuit, a large interfacial charge builds up near the nitride-SiO 2 -Si interface. This effect cannot be explained by simple models of radiation-induced conductivity of the nitride, but it is reported here that inclusion of carrier diffusion and recombination in the photoconductivity equations can predict the observed behavior. Numerical solutions on a computer are required, however, when these complications are added. The simulations account for the magnitude and radiation dose dependence of the results, as well as the occurrence of a steady state during the irradiation. The location of the excess trapped charge near the interface is also predicted, along with the large number of new traps which must be introduced to influence the steady-state charge distribution

  14. The effect of interfacial layers on charge transport in organic solar cell

    Energy Technology Data Exchange (ETDEWEB)

    Mbuyise, Xolani G.; Tonui, Patrick; Mola, Genene Tessema, E-mail: mola@ukzn.ac.za

    2016-09-01

    The effect of interfacial buffer layers in organic photovoltaic cell (OPV) whose active layer is composed of poly(3 hexylthiophene) (P3HT) and [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) blend was studied. The electrical properties of OPV devices produced with and without interfacial layers are compared and discussed in terms of measured parameters of the cells. The charge transport properties showed significant difference on the mobility and activation factor between the two types of device structures. The life time measurements in the unprotected conditions are also presented and discussed.

  15. Orientation Control of Interfacial Magnetism at La0.67Sr0.33MnO3/SrTiO3 Interfaces.

    Science.gov (United States)

    Guo, Er-Jia; Charlton, Timothy; Ambaye, Haile; Desautels, Ryan D; Lee, Ho Nyung; Fitzsimmons, Michael R

    2017-06-07

    Understanding the magnetism at the interface between a ferromagnet and an insulator is essential because the commonly posited magnetic "dead" layer close to an interface can be problematic in magnetic tunnel junctions. Previously, degradation of the magnetic interface was attributed to charge discontinuity across the interface. Here, the interfacial magnetism was investigated using three identically prepared La 0.67 Sr 0.33 MnO 3 (LSMO) thin films grown on different oriented SrTiO 3 (STO) substrates by polarized neutron reflectometry. In all cases the magnetization at the LSMO/STO interface is larger than the film bulk. We show that the interfacial magnetization is largest across the LSMO/STO interfaces with (001) and (111) orientations, which have the largest net charge discontinuities across the interfaces. In contrast, the magnetization of LSMO/STO across the (110) interface, the orientation with no net charge discontinuity, is the smallest of the three orientations. We show that a magnetically degraded interface is not intrinsic to LSMO/STO heterostructures. The approach to use different crystallographic orientations provides a means to investigate the influence of charge discontinuity on the interfacial magnetization.

  16. Interfacial charge separation and photovoltaic efficiency in Fe(ii)-carbene sensitized solar cells.

    Science.gov (United States)

    Pastore, Mariachiara; Duchanois, Thibaut; Liu, Li; Monari, Antonio; Assfeld, Xavier; Haacke, Stefan; Gros, Philippe C

    2016-10-12

    The first combined theoretical and photovoltaic characterization of both homoleptic and heteroleptic Fe(ii)-carbene sensitized photoanodes in working dye sensitized solar cells (DSSCs) has been performed. Three new heteroleptic Fe(ii)-NHC dye sensitizers have been synthesized, characterized and tested. Despite an improved interfacial charge separation in comparison to the homoleptic compounds, the heteroleptic complexes did not show boosted photovoltaic performances. The ab initio quantitative analysis of the interfacial electron and hole transfers and the measured photovoltaic data clearly evidenced fast recombination reactions for heteroleptics, even associated with un unfavorable directional electron flow, and hence slower injection rates, in the case of homoleptics. Notably, quantum mechanics calculations revealed that deprotonation of the not anchored carboxylic function in the homoleptic complex can effectively accelerate the electron injection rate and completely suppress the electron recombination to the oxidized dye. This result suggests that introduction of strong electron-donating substituents on the not-anchored carbene ligand in heteroleptic complexes, in such a way of mimicking the electronic effects of the carboxylate functionality, should yield markedly improved interfacial charge generation properties. The present results, providing for the first time a detailed understanding of the interfacial electron transfers and photovoltaic characterization in Fe(ii)-carbene sensitized solar cells, open the way to a rational molecular engineering of efficient iron-based dyes for photoelectrochemical applications.

  17. Engineering Interfacial Charge Transfer in CsPbBr3 Perovskite Nanocrystals by Heterovalent Doping

    KAUST Repository

    Begum, Raihana; Parida, Manas R.; Abdelhady, Ahmed L.; Banavoth, Murali; AlYami, Noktan; Ahmed, Ghada H.; Hedhili, Mohamed N.; Bakr, Osman; Mohammed, Omar F.

    2016-01-01

    Since compelling device efficiencies of perovskite solar cells have been achieved, investigative efforts have turned to understand other key challenges in these systems, such as engineering interfacial energy-level alignment and charge transfer (CT

  18. Interfacial electronic charge transfer and density of states in short period Cu/Cr multilayers; TOPICAL

    International Nuclear Information System (INIS)

    Barbee, T W; Bello, A F; Klepeis, J E; Van Buuren, T

    1999-01-01

    Nanometer period metallic multilayers are ideal structures to investigate electronic phenomena at interfaces between metal films since interfacial atoms comprise a large atomic fraction of the samples. The Cu/Cr binary pair is especially suited to study the interfaces in metals since these elements are mutually insoluble, thus eliminating mixing effects and compound formation and the lattice mismatch is very small. This allows the fabrication of high structural quality Cu/Cr multilayers that have a structure which can be approximated in calculations based on idealized atomic arrangements. The electronic structure of the Cu and the Cr layers in several samples of thin Cu/Cr multilayers were studied using x-ray absorption spectroscopy (XAS). Total electron yield was measured and used to study the white lines at the Cu L(sub 2) and L(sub 3) absorption edges. The white lines at the Cu absorption edges are strongly related to the unoccupied d-orbitals and are used to calculate the amount of charge transfer between the Cr and Cu atoms in interfaces. Analysis of the Cu white lines show a charge transfer of 0.026 electrons/interfacial Cu atom to the interfacial Cr atoms. In the Cu XAS spectra we also observe a van Hove singularity between the L(sub 2) and L(sub 3) absorption edges as expected from the structural analysis. The absorption spectra are compared to partial density of states obtained from a full-potential linear muffin-tin orbital calculation. The calculations support the presence of charge transfer and indicate that it is localized to the first two interfacial layers in both Cu and Cr

  19. Interfacial Engineering and Charge Carrier Dynamics in Extremely Thin Absorber Solar Cells

    Science.gov (United States)

    Edley, Michael

    Photovoltaic energy is a clean and renewable source of electricity; however, it faces resistance to widespread use due to cost. Nanostructuring decouples constraints related to light absorption and charge separation, potentially reducing cost by allowing a wider variety of processing techniques and materials to be used. However, the large interfacial areas also cause an increased dark current which negatively affects cell efficiency. This work focuses on extremely thin absorber (ETA) solar cells that used a ZnO nanowire array as a scaffold for an extremely thin CdSe absorber layer. Photoexcited electrons generated in the CdSe absorber are transferred to the ZnO layer, while photogenerated holes are transferred to the liquid electrolyte. The transfer of photoexcited carriers to their transport layer competes with bulk recombination in the absorber layer. After charge separation, transport of charge carriers to their respective contacts must occur faster than interfacial recombination for efficient collection. Charge separation and collection depend sensitively on the dimensions of the materials as well as their interfaces. We demonstrated that an optimal absorber thickness can balance light absorption and charge separation. By treating the ZnO/CdSe interface with a CdS buffer layer, we were able to improve the Voc and fill factor, increasing the ETA cell's efficiency from 0.53% to 1.34%, which is higher than that achievable using planar films of the same material. We have gained additional insight into designing ETA cells through the use of dynamic measurements. Ultrafast transient absorption spectroscopy revealed that characteristic times for electron injection from CdSe to ZnO are less than 1 ps. Electron injection is rapid compared to the 2 ns bulk lifetime in CdSe. Optoelectronic measurements such as transient photocurrent/photovoltage and electrochemical impedance spectroscopy were applied to study the processes of charge transport and interfacial recombination

  20. Effects of Interfacial Charge Depletion in Organic Thin-Film Transistors with Polymeric Dielectrics on Electrical Stability

    Directory of Open Access Journals (Sweden)

    Jaehoon Park

    2010-06-01

    Full Text Available We investigated the electrical stabilities of two types of pentacene-based organic thin-film transistors (OTFTs with two different polymeric dielectrics: polystyrene (PS and poly(4-vinyl phenol (PVP, in terms of the interfacial charge depletion. Under a short-term bias stress condition, the OTFT with the PVP layer showed a substantial increase in the drain current and a positive shift of the threshold voltage, while the PS layer case exhibited no change. Furthermore, a significant increase in the off-state current was observed in the OTFT with the PVP layer which has a hydroxyl group. In the presence of the interfacial hydroxyl group in PVP, the holes are not fully depleted during repetitive operation of the OTFT with the PVP layer and a large positive gate voltage in the off-state regime is needed to effectively refresh the electrical characteristics. It is suggested that the depletion-limited holes at the interface, i.e., interfacial charge depletion, between the PVP layer and the pentacene layer play a critical role on the electrical stability during operation of the OTFT.

  1. Influence of kinematic cuts on the net charge distribution

    Energy Technology Data Exchange (ETDEWEB)

    Petersen, Hannah [Frankfurt Institute for Advanced Studies, Ruth-Moufang-Str. 1, 60438 Frankfurt am Main (Germany); Institut für Theoretische Physik, Goethe Universität, Max-von-Laue-Str. 1, 60438 Frankfurt am Main (Germany); GSI Helmholtzzentrum für Schwerionenforschung GmbH, Planckstr. 1, 64291 Darmstadt (Germany); Oliinychenko, Dmytro [Frankfurt Institute for Advanced Studies, Ruth-Moufang-Str. 1, 60438 Frankfurt am Main (Germany); Bogolyubov Institute for Theoretical Physics, Kiev 03680 (Ukraine); Steinheimer, Jan [Frankfurt Institute for Advanced Studies, Ruth-Moufang-Str. 1, 60438 Frankfurt am Main (Germany); Bleicher, Marcus [Frankfurt Institute for Advanced Studies, Ruth-Moufang-Str. 1, 60438 Frankfurt am Main (Germany); Institut für Theoretische Physik, Goethe Universität, Max-von-Laue-Str. 1, 60438 Frankfurt am Main (Germany)

    2016-12-15

    The higher moments of the net charge distributions, e.g. the skewness and kurtosis, are studied within an infinite hadronic matter calculation in a transport approach. By dividing the box into several parts, the volume dependence of the fluctuations is investigated. After confirming that the initial distributions follow the expectations from a binomial distribution, the influence of quantum number conservation in this case the net charge in the system on the higher moments is evaluated. For this purpose, the composition of the hadron gas is adjusted and only pions and ρ mesons are simulated to investigate the charge conservation effect. In addition, the effect of imposing kinematic cuts in momentum space is analysed. The role of resonance excitations and decays on the higher moments can also be studied within this model. This work is highly relevant to understand the experimental measurements of higher moments obtained in the RHIC beam energy scan and their comparison to lattice results and other theoretical calculations assuming infinite matter.

  2. Effect of net surface charge on particle sizing and material recognition by using phase Doppler anemometry

    International Nuclear Information System (INIS)

    Zhou Jun; Xie Li

    2011-01-01

    By taking net surface charge into consideration, the scattering field of particles illuminated by dual laser beams of phase Doppler anemometry (PDA) is computed based on Mie's theory, and the effect of net surface charge on the phase-diameter relationship and the phase ratio is studied. It is found that the phase-diameter relationship and the relationship between the phase ratio and the refractive index of charged particles could be significantly different from those of uncharged particles, which would lead to errors in particle sizing and the measurement of refractive indices. A method of recognizing charged particles and determining the value of their surface conductivity, which is related to net surface charge, is proposed by utilizing the effect of net surface charge on the measurement of refractive indices using PDA.

  3. Effect of net surface charge on particle sizing and material recognition by using phase Doppler anemometry

    Energy Technology Data Exchange (ETDEWEB)

    Zhou Jun; Xie Li

    2011-01-20

    By taking net surface charge into consideration, the scattering field of particles illuminated by dual laser beams of phase Doppler anemometry (PDA) is computed based on Mie's theory, and the effect of net surface charge on the phase-diameter relationship and the phase ratio is studied. It is found that the phase-diameter relationship and the relationship between the phase ratio and the refractive index of charged particles could be significantly different from those of uncharged particles, which would lead to errors in particle sizing and the measurement of refractive indices. A method of recognizing charged particles and determining the value of their surface conductivity, which is related to net surface charge, is proposed by utilizing the effect of net surface charge on the measurement of refractive indices using PDA.

  4. Time-resolved X-ray photoelectron spectroscopy techniques for the study of interfacial charge dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Neppl, Stefan, E-mail: sneppl@lbl.gov; Gessner, Oliver

    2015-04-15

    Highlights: • Ultrafast interfacial charge transfer is probed with atomic site specificity. • Femtosecond X-ray photoelectron spectroscopy using a free electron laser. • Efficient and flexible picosecond X-ray photoelectron pump–probe scheme using synchrotron radiation. - Abstract: X-ray photoelectron spectroscopy (XPS) is one of the most powerful techniques to quantitatively analyze the chemical composition and electronic structure of surfaces and interfaces in a non-destructive fashion. Extending this technique into the time domain has the exciting potential to shed new light on electronic and chemical dynamics at surfaces by revealing transient charge configurations with element- and site-specificity. Here, we describe prospects and challenges that are associated with the implementation of picosecond and femtosecond time-resolved X-ray photoelectron spectroscopy at third-generation synchrotrons and X-ray free-electron lasers, respectively. In particular, we discuss a series of laser-pump/X-ray-probe photoemission experiments performed on semiconductor surfaces, molecule-semiconductor interfaces, and films of semiconductor nanoparticles that demonstrate the high sensitivity of time-resolved XPS to light-induced charge carrier generation, diffusion and recombination within the space charge layers of these materials. Employing the showcase example of photo-induced electronic dynamics in a dye-sensitized semiconductor system, we highlight the unique possibility to probe heterogeneous charge transfer dynamics from both sides of an interface, i.e., from the perspective of the molecular electron donor and the semiconductor acceptor, simultaneously. Such capabilities will be crucial to improve our microscopic understanding of interfacial charge redistribution and associated chemical dynamics, which are at the heart of emerging energy conversion, solar fuel generation, and energy storage technologies.

  5. Engineering Interfacial Charge Transfer in CsPbBr3 Perovskite Nanocrystals by Heterovalent Doping.

    Science.gov (United States)

    Begum, Raihana; Parida, Manas R; Abdelhady, Ahmed L; Murali, Banavoth; Alyami, Noktan M; Ahmed, Ghada H; Hedhili, Mohamed Nejib; Bakr, Osman M; Mohammed, Omar F

    2017-01-18

    Since compelling device efficiencies of perovskite solar cells have been achieved, investigative efforts have turned to understand other key challenges in these systems, such as engineering interfacial energy-level alignment and charge transfer (CT). However, these types of studies on perovskite thin-film devices are impeded by the morphological and compositional heterogeneity of the films and their ill-defined surfaces. Here, we use well-defined ligand-protected perovskite nanocrystals (NCs) as model systems to elucidate the role of heterovalent doping on charge-carrier dynamics and energy level alignment at the interface of perovskite NCs with molecular acceptors. More specifically, we develop an in situ doping approach for colloidal CsPbBr 3 perovskite NCs with heterovalent Bi 3+ ions by hot injection to precisely tune their band structure and excited-state dynamics. This synthetic method allowed us to map the impact of doping on CT from the NCs to different molecular acceptors. Using time-resolved spectroscopy with broadband capability, we clearly demonstrate that CT at the interface of NCs can be tuned and promoted by metal ion doping. We found that doping increases the energy difference between states of the molecular acceptor and the donor moieties, subsequently facilitating the interfacial CT process. This work highlights the key variable components not only for promoting interfacial CT in perovskites, but also for establishing a higher degree of precision and control over the surface and the interface of perovskite molecular acceptors.

  6. Engineering Interfacial Charge Transfer in CsPbBr3 Perovskite Nanocrystals by Heterovalent Doping

    KAUST Repository

    Begum, Raihana

    2016-12-17

    Since compelling device efficiencies of perovskite solar cells have been achieved, investigative efforts have turned to understand other key challenges in these systems, such as engineering interfacial energy-level alignment and charge transfer (CT). However, these types of studies on perovskite thin-film devices are impeded by the morphological and compositional heterogeneity of the films and their ill-defined surfaces. Here, we use well-defined ligand-protected perovskite nanocrystals (NCs) as model systems to elucidate the role of heterovalent doping on charge-carrier dynamics and energy level alignment at the interface of perovskite NCs with molecular acceptors. More specifically, we develop an in situ doping approach for colloidal CsPbBr3 perovskite NCs with heterovalent Bi3+ ions by hot injection to precisely tune their band structure and excited-state dynamics. This synthetic method allowed us to map the impact of doping on CT from the NCs to different molecular acceptors. Using time-resolved spectroscopy with broadband capability, we clearly demonstrate that CT at the interface of NCs can be tuned and promoted by metal ion doping. We found that doping increases the energy difference between states of the molecular acceptor and the donor moieties, subsequently facilitating the interfacial CT process. This work highlights the key variable components not only for promoting interfacial CT in perovskites, but also for establishing a higher degree of precision and control over the surface and the interface of perovskite molecular acceptors.

  7. Net charge of quark jets in (anti)neutrino interactions

    International Nuclear Information System (INIS)

    Teper, M.

    1981-01-01

    We analyse recent measurements of the net charges of quark jets in neutrino and antineutrino interactions. The data indicates that (i) the two quarks in the nucleon fragmentation region prefer to behave as a diquark rather than as a pair of independent quarks, and (ii) the struck quark does not appear to suffer any soft charge exchange of the kind that occurs when a valence quark inside a nucleon is slowed to x approx. O. (orig.)

  8. Determination of net atomic charges in anthraquinone by means of 5-h X-ray diffraction experiment

    Czech Academy of Sciences Publication Activity Database

    Šlouf, Miroslav

    2002-01-01

    Roč. 611, 1-3 (2002), s. 139-146 ISSN 0022-2860 R&D Projects: GA ČR GA203/99/M037 Institutional research plan: CEZ:AV0Z4050913 Keywords : net charges * net atomic charges * charge density analysis Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.122, year: 2002

  9. Strong cooperative effect of oppositely charged surfactant mixtures on their adsorption and packing at the air-water interface and interfacial water structure.

    Science.gov (United States)

    Nguyen, Khoi T; Nguyen, Tuan D; Nguyen, Anh V

    2014-06-24

    Remarkable adsorption enhancement and packing of dilute mixtures of water-soluble oppositely-charged surfactants, sodium dodecyl sulfate (SDS) and dodecyl amine hydrochloride (DAH), at the air-water interface were observed by using sum frequency generation spectroscopy and tensiometry. The interfacial water structure was also observed to be significantly influenced by the SDS-DAH mixtures, differently from the synergy of the single surfactants. Most strikingly, the obtained spectroscopic evidence suggests that the interfacial hydrophobic alkyl chains of the binary mixtures assemble differently from those of single surfactants. This study highlights the significance of the cooperative interaction between the headgroups of oppositely charged binary surfactant systems and subsequently provides some insightful observations about the molecular structure of the air-aqueous interfacial water molecules and, more importantly, about the packing nature of the surfactant hydrophobic chains of dilute SDS-DAH mixtures of concentration below 1% of the CMC.

  10. Controlling the net charge on a nanoparticle optically levitated in vacuum

    Science.gov (United States)

    Frimmer, Martin; Luszcz, Karol; Ferreiro, Sandra; Jain, Vijay; Hebestreit, Erik; Novotny, Lukas

    2017-06-01

    Optically levitated nanoparticles in vacuum are a promising model system to test physics beyond our current understanding of quantum mechanics. Such experimental tests require extreme control over the dephasing of the levitated particle's motion. If the nanoparticle carries a finite net charge, it experiences a random Coulomb force due to fluctuating electric fields. This dephasing mechanism can be fully excluded by discharging the levitated particle. Here, we present a simple and reliable technique to control the charge on an optically levitated nanoparticle in vacuum. Our method is based on the generation of charges in an electric discharge and does not require additional optics or mechanics close to the optical trap.

  11. Interfacial dynamic surface traps of lead sulfide (PbS) nanocrystals: test-platform for interfacial charge carrier traps at the organic/inorganic functional interface

    Science.gov (United States)

    Kim, Youngjun; Ko, Hyungduk; Park, Byoungnam

    2018-04-01

    Nanocrystal (NC) size and ligand dependent dynamic trap formation of lead sulfide (PbS) NCs in contact with an organic semiconductor were investigated using a pentacene/PbS field effect transistor (FET). We used a bilayer pentacene/PbS FET to extract information of the surface traps of PbS NCs at the pentacene/PbS interface through the field effect-induced charge carrier density measurement in the threshold and subthreshold regions. PbS size and ligand dependent trap properties were elucidated by the time domain and threshold voltage measurements in which threshold voltage shift occurs by carrier charging and discharging in the trap states of PbS NCs. The observed threshold voltage shift is interpreted in context of electron trapping through dynamic trap formation associated with PbS NCs. To the best of our knowledge, this is the first demonstration of the presence of interfacial dynamic trap density of PbS NC in contact with an organic semiconductor (pentacene). We found that the dynamic trap density of the PbS NC is size dependent and the carrier residence time in the specific trap sites is more sensitive to NC size variation than to NC ligand exchange. The probing method presented in the study offers a means to investigate the interfacial surface traps at the organic-inorganic hetero-junction, otherwise understanding of the buried surface traps at the functional interface would be elusive.

  12. Impact of fuel-dependent electricity retail charges on the value of net-metered PV applications in vertically integrated systems

    International Nuclear Information System (INIS)

    Nikolaidis, Alexandros I.; Milidonis, Andreas; Charalambous, Charalambos A.

    2015-01-01

    Retail electricity charges inevitably influence the financial rationale of using net-metered photovoltaic (PV) applications since their structure as well as their level may vary significantly over the life-cycle of a customer-sited PV generation system. This subsequently introduces a further uncertainty for a ratepayer considering a net-metered PV investment. To thoroughly comprehend this uncertainty, the paper employs a top-down approach – in vertically integrated environments – to model the volatility of partially hedged electricity charges and its subsequent impact on the value of bill savings from net-metered PV systems. Besides the utility's pricing strategy and rate structures, particular emphasis is given in modeling the fossil fuel mix component that introduces a significant source of uncertainty on electricity charges and thus on the value of bill savings of net-metered, customer-sited, PV applications. - Highlights: • A top-down approach of developing traditional electricity charges is provided. • The combined effect of pricing strategies, rate structures and fuels is examined. • Fossil fuel prices can substantially affect the net metering compensation. • A financial risk assessment for net-metered PV systems is performed

  13. Beam-energy and system-size dependence of dynamical net charge fluctuations

    Czech Academy of Sciences Publication Activity Database

    Abelev, B. I.; Aggarwal, M. M.; Ahammed, Z.; Anderson, B. D.; Arkhipkin, D.; Averichev, G. S.; Balewski, J.; Barannikova, O.; Barnby, L. S.; Baudot, J.; Baumgart, S.; Beavis, D.R.; Bellwied, R.; Benedosso, F.; Betancourt, M.J.; Betts, R. R.; Bhasin, A.; Bhati, A.K.; Bichsel, H.; Bielčík, Jaroslav; Bielčíková, Jana; Biritz, B.; Bland, L.C.; Bombara, M.; Bonner, B. E.; Botje, M.; Bouchet, J.; Braidot, E.; Brandin, A. V.; Bruna, E.; Bueltmann, S.; Burton, T. P.; Bysterský, Michal; Cai, X.Z.; Caines, H.; Sanchez, M.C.D.; Catu, O.; Cebra, D.; Cendejas, R.; Cervantes, M.C.; Chajecki, Z.; Chaloupka, Petr; Chattopadhyay, S.; Chen, H.F.; Chen, J.H.; Cheng, J.; Cherney, M.; Chikanian, A.; Choi, K.E.; Christie, W.; Clarke, R.F.; Codrington, M.J.M.; Corliss, R.; Cormier, T.M.; Coserea, R. M.; Cramer, J. G.; Crawford, H. J.; Das, D.; Dash, S.; Daugherity, M.; De Silva, L.C.; Dedovich, T. G.; DePhillips, M.; Derevschikov, A.A.; de Souza, R.D.; Didenko, L.; Djawotho, P.; Dunlop, J.C.; Mazumdar, M.R.D.; Edwards, W.R.; Efimov, L.G.; Elhalhuli, E.; Elnimr, M.; Emelianov, V.; Engelage, J.; Eppley, G.; Erazmus, B.; Estienne, M.; Eun, L.; Fachini, P.; Fatemi, R.; Fedorisin, J.; Feng, A.; Filip, P.; Finch, E.; Fine, V.; Fisyak, Y.; Gagliardi, C. A.; Gaillard, L.; Ganti, M. S.; Gangaharan, D.R.; Garcia-Solis, E.J.; Geromitsos, A.; Geurts, F.; Ghazikhanian, V.; Ghosh, P.; Gorbunov, Y.N.; Gordon, A.; Grebenyuk, O.; Grosnick, D.; Grube, B.; Guertin, S.M.; Guimaraes, K.S.F.F.; Gupta, A.; Gupta, N.; Guryn, W.; Haag, B.; Hallman, T.J.; Hamed, A.; Harris, J.W.; He, W.; Heinz, M.; Heppelmann, S.; Hippolyte, B.; Hirsch, A.; Hjort, E.; Hoffman, A.M.; Hoffmann, G.W.; Hofman, D.J.; Hollis, R.S.; Huang, H.Z.; Humanic, T.J.; Igo, G.; Iordanova, A.; Jacobs, P.; Jacobs, W.W.; Jakl, Pavel; Jena, C.; Jin, F.; Jones, C.L.; Jones, P.G.; Joseph, J.; Judd, E.G.; Kabana, S.; Kajimoto, K.; Kang, K.; Kapitán, Jan; Keane, D.; Kechechyan, A.; Kettler, D.; Khodyrev, V.Yu.; Kikola, D.P.; Kiryluk, J.; Kisiel, A.; Klein, S.R.; Knospe, A.G.; Kocoloski, A.; Koetke, D.D.; Kopytine, M.; Korsch, W.; Kotchenda, L.; Kushpil, Vasilij; Kravtsov, P.; Kravtsov, V.I.; Krueger, K.; Krus, M.; Kuhn, C.; Kumar, L.; Kurnadi, P.; Lamont, M.A.C.; Landgraf, J.M.; LaPointe, S.; Lauret, J.; Lebedev, A.; Lednický, Richard; Lee, Ch.; Lee, J.H.; Leight, W.; LeVine, M.J.; Li, N.; Li, C.; Li, Y.; Lin, G.; Lindenbaum, S.J.; Lisa, M.A.; Liu, F.; Liu, J.; Liu, L.; Ljubicic, T.; Llope, W.J.; Longacre, R.S.; Love, W.A.; Lu, Y.; Ludlam, T.; Ma, G.L.; Ma, Y.G.; Mahapatra, D.P.; Majka, R.; Mall, O.I.; Mangotra, L.K.; Manweiler, R.; Margetis, S.; Markert, C.; Matis, H.S.; Matulenko, Yu.A.; McShane, T.S.; Meschanin, A.; Milner, R.; Minaev, N.G.; Mioduszewski, S.; Mischke, A.; Mitchell, J.; Mohanty, B.; Morozov, D.A.; Munhoz, M. G.; Nandi, B.K.; Nattrass, C.; Nayak, T. K.; Nelson, J.M.; Netrakanti, P.K.; Ng, M.J.; Nogach, L.V.; Nurushev, S.B.; Odyniec, G.; Ogawa, A.; Okada, H.; Okorokov, V.; Olson, D.; Pachr, M.; Page, B.S.; Pal, S.K.; Pandit, Y.; Panebratsev, Y.; Panitkin, S.Y.; Pawlak, T.; Peitzmann, T.; Perevoztchikov, V.; Perkins, C.; Peryt, W.; Phatak, S.C.; Poljak, N.; Poskanzer, A.M.; Potukuchi, B.V.K.S.; Prindle, D.; Pruneau, C.; Pruthi, N.K.; Putschke, J.; Raniwala, R.; Raniwala, S.; Ray, R.L.; Redwine, R.; Reed, R.; Ridiger, A.; Ritter, H.G.; Roberts, J.B.; Rogachevskiy, O.V.; Romero, J.L.; Rose, A.; Roy, C.; Ruan, L.; Russcher, M.J.; Sahoo, R.; Sakrejda, I.; Sakuma, T.; Salur, S.; Sandweiss, J.; Sarsour, M.; Schambach, J.; Scharenberg, R.P.; Schmitz, N.; Seger, J.; Selyuzhenkov, I.; Seyboth, P.; Shabetai, A.; Shahaliev, E.; Shao, M.; Sharma, M.; Shi, S.S.; Shi, X.H.; Sichtermann, E.P.; Simon, F.; Singaraju, R.N.; Skoby, M.J.; Smirnov, N.; Snellings, R.; Sorensen, P.; Sowinski, J.; Spinka, H.M.; Srivastava, B.; Stadnik, A.; Stanislaus, T.D.S.; Staszak, D.; Strikhanov, M.; Stringfellow, B.; Suaide, A.A.P.; Suarez, M.C.; Subba, N.L.; Šumbera, Michal; Sun, X.M.; Sun, Y.; Sun, Z.; Surrow, B.; Symons, T.J.M.; de Toledo, A. S.; Takahashi, J.; Tang, A.H.; Tang, Z.; Tarnowsky, T.; Thein, D.; Thomas, J.H.; Tian, J.; Timmins, A.R.; Timoshenko, S.; Tokarev, M. V.; Trainor, T.A.; Tram, V.N.; Trattner, A.L.; Trentalange, S.; Tribble, R. E.; Tsai, O.D.; Ulery, J.; Ullrich, T.; Underwood, D.G.; Van Buren, G.; van Leeuwen, M.; Vander Molen, A.M.; Vanfossen, J.A.; Varma, R.; Vasconcelos, G.S.M.; Vasilevski, I.M.; Vasiliev, A. N.; Videbaek, F.; Vigdor, S.E.; Viyogi, Y. P.; Vokal, S.; Voloshin, S.A.; Wada, M.; Walker, M.; Wang, F.; Wang, G.; Wang, J.S.; Wang, Q.; Wang, X.; Wang, X.L.; Wang, Y.; Webb, G.; Webb, J.C.; Westfall, G.D.; Whitten, C.; Wieman, H.; Wissink, S.W.; Witt, R.; Wu, Y.; Tlustý, David; Xie, W.; Xu, N.; Xu, Q.H.; Xu, Y.; Xu, Z.; Yang, P.; Yepes, P.; Yip, K.; Yoo, I.K.; Yue, Q.; Zawisza, M.; Zbroszczyk, H.; Zhan, W.; Zhang, S.; Zhang, W.M.; Zhang, X.P.; Zhang, Y.; Zhang, Z.; Zhao, Y.; Zhong, C.; Zhou, J.; Zoulkarneev, R.; Zoulkarneeva, Y.; Zuo, J.X.

    2009-01-01

    Roč. 79, č. 2 (2009), 024906/1-024906/14 ISSN 0556-2813 R&D Projects: GA ČR GA202/07/0079; GA MŠk LC07048 Institutional research plan: CEZ:AV0Z10480505; CEZ:AV0Z10100502 Keywords : NET CHARGE * DYNAMICAL FLUCTUATIONS * HEAVY-ION COLLISIONS Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 3.477, year: 2009

  14. The Properties of the Space-Charge and Net Current Density in Magnetized Plasmas

    International Nuclear Information System (INIS)

    Hatami, M. M.

    2013-01-01

    A hydrodynamic model is used to investigate the properties of positive space-charge and net current density in the sheath region of magnetized, collisional plasmas with warm positive ions. It is shown that an increase in the ion-neutral collision frequency, as well as the magnitude of the external magnetic field, leads to an increase in the net current density across the sheath region. The results also show that the accumulation of positive ions in the sheath region increases by increasing the ion-neutral collision frequency and the magnitude of the magnetic field. In addition, it is seen that an increase in the positive ion temperatures causes a decrease in the accumulation of positive ions and the net current density in the sheath region. (basic plasma phenomena)

  15. High reduction of interfacial charge recombination in colloidal quantum dot solar cells by metal oxide surface passivation.

    Science.gov (United States)

    Chang, Jin; Kuga, Yuki; Mora-Seró, Iván; Toyoda, Taro; Ogomi, Yuhei; Hayase, Shuzi; Bisquert, Juan; Shen, Qing

    2015-03-12

    Bulk heterojunction (BHJ) solar cells based on colloidal QDs and metal oxide nanowires (NWs) possess unique and outstanding advantages in enhancing light harvesting and charge collection in comparison to planar architectures. However, the high surface area of the NW structure often brings about a large amount of recombination (especially interfacial recombination) and limits the open-circuit voltage in BHJ solar cells. This problem is solved here by passivating the surface of the metal oxide component in PbS colloidal quantum dot solar cells (CQDSCs). By coating thin TiO2 layers onto ZnO-NW surfaces, the open-circuit voltage and power conversion efficiency have been improved by over 40% in PbS CQDSCs. Characterization by transient photovoltage decay and impedance spectroscopy indicated that the interfacial recombination was significantly reduced by the surface passivation strategy. An efficiency as high as 6.13% was achieved through the passivation approach and optimization for the length of the ZnO-NW arrays (device active area: 16 mm2). All solar cells were tested in air, and exhibited excellent air storage stability (without any performance decline over more than 130 days). This work highlights the significance of metal oxide passivation in achieving high performance BHJ solar cells. The charge recombination mechanism uncovered in this work could shed light on the further improvement of PbS CQDSCs and/or other types of solar cells.

  16. Interfacial trap states in junctions of molecular semiconductors

    International Nuclear Information System (INIS)

    Schlettwein, D.; Oekermann, T.; Jaeger, N.; Armstrong, N.R.; Woehrle, D.

    2002-01-01

    Interfacial states that were established in contacts of molecular semiconductors with aqueous electrolytes or in contacts with another organic semiconductor as a solid film were analyzed by photoelectrochemical experiments and by photoelectron spectroscopy. A crucial role of such states was indicated in the interfacial charge transfer and recombination kinetics of light-induced charge carriers and also in the energetic alignment in the solid contacts. Unsubstituted zinc-phthalocyanine (PcZn) served as model compound. The role of chemical interactions in the establishment of these interfacial states was investigated by use of different reaction partners, i.e., different redox couples in the electrolyte contacts and molecular semiconductors of different ionization potential in the solid contacts. Implications of these results for the use of organic semiconductor thin films in devices of molecular electronics and of dye molecules in dye-sensitized solar cells were also discussed

  17. Impact of Interfacial Layers in Perovskite Solar Cells.

    Science.gov (United States)

    Cho, An-Na; Park, Nam-Gyu

    2017-10-09

    Perovskite solar cells (PCSs) are composed of organic-inorganic lead halide perovskite as the light harvester. Since the first report on a long-term-durable, 9.7 % efficient, solid-state perovskite solar cell, organic-inorganic halide perovskites have received considerable attention because of their excellent optoelectronic properties. As a result, a power conversion efficiency (PCE) exceeding 22 % was certified. Controlling the grain size, grain boundary, morphology, and defects of the perovskite layer is important for achieving high efficiency. In addition, interfacial engineering is equally or more important to further improve the PCE through better charge collection and a reduction in charge recombination. In this Review, the type of interfacial layers and their impact on photovoltaic performance are investigated for both the normal and the inverted cell architectures. Four different interfaces of fluorine-doped tin oxide (FTO)/electron-transport layer (ETL), ETL/perovskite, perovskite/hole-transport layer (HTL), and HTL/metal are classified, and their roles are investigated. The effects of interfacial engineering with organic or inorganic materials on photovoltaic performance are described in detail. Grain-boundary engineering is also included because it is related to interfacial engineering and the grain boundary in the perovskite layer plays an important role in charge conduction, recombination, and chargecarrier life time. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Study Of Higher Moments Of Net-Electric Charge & Net-Proton Number Fluctuations In Pb+Pb Collisions At $\\sqrt{s_{NN}}$=2.76 TeV In ALICE At LHC

    CERN Document Server

    Behera, Nirbhay Kumar

    Lattice QCD predicts that at extreme temperature and energy density, QCD matter will undergo a phase transition from hadronic matter to partonic matter called as QGP. One of the fundamental goals of heavy ion collision experiments to map the QCD phase diagram as a function of temperature (T) and baryo-chemical potential ($\\mu_{B}$). There are many proposed experimental signatures of QGP and fluctuations study are regarded as sensitive tool for it. It is proposed that fluctuation of conserved quantities like net-charge and net-proton can be used to map the QCD phase diagram. The mean ($\\mu$), sigma ($\\sigma$), skewness (S) and kurtosis ($\\kappa$) of the distribution of net charge and net proton are believed to be sensitive probes in fluctuation analysis. It has been argued that critical phenomena are signaled with increase and divergence of correlation length. The dependence of $n^{th}$ order higher moments (cumulants, $c_{n}$) with the correlation length $\\xi$ is as $c_{n}\\sim\\xi^{2.5n-3}$. At LHC energy, the...

  19. Scheduling of Crude Oil Operations in Refinery without Sufficient Charging Tanks Using Petri Nets

    Directory of Open Access Journals (Sweden)

    Yan An

    2017-05-01

    Full Text Available A short-term schedule for crude oil operations in a refinery should define and sequence the activities in detail. Each activity involves both discrete-event and continuous variables. The combinatorial nature of the scheduling problem makes it difficult to solve. For such a scheduling problem, charging tanks are a type of critical resources. If the number of charging tanks is not sufficient, the scheduling problem is further complicated. This work conducts a study on the scheduling problem of crude oil operations without sufficient charging tanks. In this case, to make a refinery able to operate, a charging tank has to be in simultaneous charging and feeding to a distiller for some time, called simultaneously-charging-and-feeding (SCF mode, leading to disturbance to the oil distillation in distillers. A hybrid Petri net model is developed to describe the behavior of the system. Then, a scheduling method is proposed to find a schedule such that the SCF mode is minimally used. It is computationally efficient. An industrial case study is given to demonstrate the obtained results.

  20. Large impact of reorganization energy on photovoltaic conversion due to interfacial charge-transfer transitions.

    Science.gov (United States)

    Fujisawa, Jun-ichi

    2015-05-14

    Interfacial charge-transfer (ICT) transitions are expected to be a novel charge-separation mechanism for efficient photovoltaic conversion featuring one-step charge separation without energy loss. Photovoltaic conversion due to ICT transitions has been investigated using several TiO2-organic hybrid materials that show organic-to-inorganic ICT transitions in the visible region. In applications of ICT transitions to photovoltaic conversion, there is a significant problem that rapid carrier recombination is caused by organic-inorganic electronic coupling that is necessary for the ICT transitions. In order to solve this problem, in this work, I have theoretically studied light-to-current conversions due to the ICT transitions on the basis of the Marcus theory with density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations. An apparent correlation between the reported incident photon-to-current conversion efficiencies (IPCE) and calculated reorganization energies was clearly found, in which the IPCE increases with decreasing the reorganization energy consistent with the Marcus theory in the inverted region. This activation-energy dependence was systematically explained by the equation formulated by the Marcus theory based on a simple excited-state kinetic scheme. This result indicates that the reduction of the reorganization energy can suppress the carrier recombination and enhance the IPCE. The reorganization energy is predominantly governed by the structural change in the chemical-adsorption moiety between the ground and ICT excited states. This work provides crucial knowledge for efficient photovoltaic conversion due to ICT transitions.

  1. Receptor-Mediated Melanoma Targeting with Radiolabeled α-Melanocyte-Stimulating Hormone: Relevance of the Net Charge of the Ligand

    Directory of Open Access Journals (Sweden)

    Alex N. Eberle

    2017-04-01

    Full Text Available A majority of melanotic and amelanotic melanomas overexpress melanocortin type 1 receptors (MC1Rs for α-melanocyte-stimulating hormone. Radiolabeled linear or cyclic analogs of α-MSH have a great potential as diagnostic or therapeutic tools for the management of malignant melanoma. Compounds such as [111In]DOTA-NAP-amide exhibit high affinity for the MC1R in vitro, good tumor uptake in vivo, but they may suffer from relatively high kidney uptake and retention in vivo. We have shown previously that the introduction of negative charges into radiolabeled DOTA-NAP-amide peptide analogs may enhance their excretion and reduce kidney retention. To address the question of where to place negative charges within the ligand, we have extended these studies by designing two novel peptides, Ac-Nle-Asp-His-d-Phe-Arg-Trp-Gly-Lys(DOTA-d-Asp-d-Asp-OH (DOTA-NAP-d-Asp-d-Asp with three negative charges at the C-terminal end (overall net charge of the molecule −2 and DOTA-Gly-Tyr(P-Nle-Asp-His-d-Phe-Arg-Trp-NH2 (DOTA-Phospho-MSH2-9 with two negative charges in the N-terminal region (net charge −1. The former peptide showed markedly reduced receptor affinity and biological activity by >10-fold compared to DOTA-NAP-amide as reference compound, and the latter peptide displayed similar bioactivity and receptor affinity as the reference compound. The uptake by melanoma tumor tissue of [111In]DOTA-Phospho-MSH2-9 was 7.33 ± 0.47 %ID/g 4 h after injection, i.e., almost equally high as with [111In]DOTA-NAP-amide. The kidney retention was 2.68 ± 0.18 %ID/g 4 h after injection and hence 44% lower than that of [111In]DOTA-NAP-amide. Over an observation period from 4 to 48 h, the tumor-to-kidney ratio of [111In]DOTA-Phospho-MSH2-9 was 35% more favorable than that of the reference compound. In a comparison of DOTA-NAP-d-Asp-d-Asp, DOTA-Phospho-MSH2-9 and DOTA-NAP-amide with five previously published analogs of DOTA-NAP-amide that altogether cover a range

  2. Non-contact, non-destructive, quantitative probing of interfacial trap sites for charge carrier transport at semiconductor-insulator boundary

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Wookjin; Miyakai, Tomoyo; Sakurai, Tsuneaki; Saeki, Akinori [Department of Applied Chemistry, Graduate School of Engineering, Osaka University, Suita 565-0871 (Japan); Yokoyama, Masaaki [Kaneka Fundamental Technology Research Alliance Laboratories, Graduate School of Engineering, Osaka University, Suita 565-0871 (Japan); Seki, Shu, E-mail: seki@chem.eng.osaka-u.ac.jp [Department of Applied Chemistry, Graduate School of Engineering, Osaka University, Suita 565-0871 (Japan); Kaneka Fundamental Technology Research Alliance Laboratories, Graduate School of Engineering, Osaka University, Suita 565-0871 (Japan)

    2014-07-21

    The density of traps at semiconductor–insulator interfaces was successfully estimated using microwave dielectric loss spectroscopy with model thin-film organic field-effect transistors. The non-contact, non-destructive analysis technique is referred to as field-induced time-resolved microwave conductivity (FI-TRMC) at interfaces. Kinetic traces of FI-TRMC transients clearly distinguished the mobile charge carriers at the interfaces from the immobile charges trapped at defects, allowing both the mobility of charge carriers and the number density of trap sites to be determined at the semiconductor-insulator interfaces. The number density of defects at the interface between evaporated pentacene on a poly(methylmethacrylate) insulating layer was determined to be 10{sup 12 }cm{sup −2}, and the hole mobility was up to 6.5 cm{sup 2} V{sup −1} s{sup −1} after filling the defects with trapped carriers. The FI-TRMC at interfaces technique has the potential to provide rapid screening for the assessment of interfacial electronic states in a variety of semiconductor devices.

  3. Design of a Software for Calculating Isoelectric Point of a Polypeptide According to Their Net Charge Using the Graphical Programming Language LabVIEW

    Science.gov (United States)

    Tovar, Glomen

    2018-01-01

    A software to calculate the net charge and to predict the isoelectric point (pI) of a polypeptide is developed in this work using the graphical programming language LabVIEW. Through this instrument the net charges of the ionizable residues of the chains of the proteins are calculated at different pH values, tabulated, pI is predicted and an Excel…

  4. Coupled Interfacial Tension and Phase Behavior Model Based on Micellar Curvatures

    KAUST Repository

    Torrealba, V. A.

    2017-11-08

    This article introduces a consistent and robust model that predicts interfacial tensions for all microemulsion Winsor types and overall compositions. The model incorporates film bending arguments and Huh\\'s equation and is coupled to phase behavior so that simultaneous tuning of both interfacial tension (IFT) and phase behavior is possible. The oil-water interfacial tension and characteristic length are shown to be related to each other through the hydrophilic-lipophilic deviation (HLD). The phase behavior is tied to the micelle curvatures, without the need for using the net average curvature (NAC). The interfacial tension model is related to solubilization ratios in order to introduce a coupled interfacial tension-phase behavior model for all phase environments. The approach predicts two- and three-phase interfacial tensions and phase behavior (i.e., tie lines and tie triangles) for changes in composition and HLD input parameters, such as temperature, pressure, surfactant structure, and oil equivalent alkane carbon number. Comparisons to experimental data show excellent fits and predictive capability.

  5. Amino-Acid-Induced Preferential Orientation of Perovskite Crystals for Enhancing Interfacial Charge Transfer and Photovoltaic Performance.

    Science.gov (United States)

    Shih, Yen-Chen; Lan, Yu-Bing; Li, Chia-Shuo; Hsieh, Hsiao-Chi; Wang, Leeyih; Wu, Chih-I; Lin, King-Fu

    2017-06-01

    Interfacial engineering of perovskite solar cells (PSCs) is attracting intensive attention owing to the charge transfer efficiency at an interface, which greatly influences the photovoltaic performance. This study demonstrates the modification of a TiO 2 electron-transporting layer with various amino acids, which affects charge transfer efficiency at the TiO 2 /CH 3 NH 3 PbI 3 interface in PSC, among which the l-alanine-modified cell exhibits the best power conversion efficiency with 30% enhancement. This study also shows that the (110) plane of perovskite crystallites tends to align in the direction perpendicular to the amino-acid-modified TiO 2 as observed in grazing-incidence wide-angle X-ray scattering of thin CH 3 NH 3 PbI 3 perovskite film. Electrochemical impedance spectroscopy reveals less charge transfer resistance at the TiO 2 /CH 3 NH 3 PbI 3 interface after being modified with amino acids, which is also supported by the lower intensity of steady-state photoluminescence (PL) and the reduced PL lifetime of perovskite. In addition, based on the PL measurement with excitation from different side of the sample, amino-acid-modified samples show less surface trapping effect compared to the sample without modification, which may also facilitate charge transfer efficiency at the interface. The results suggest that appropriate orientation of perovskite crystallites at the interface and trap-passivation are the niche for better photovoltaic performance. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Study of the charge transport characteristics of dendrimer molecular thin films

    Energy Technology Data Exchange (ETDEWEB)

    Li, J.C., E-mail: jcli@mail.neu.edu.cn; Han, N.; Wang, S.S.; Ba, D.C.

    2011-05-31

    In this work, we systematically studied the electrical characteristics of two types of dendritic arylamine thin film devices. We observed that, for devices with different interfacial structures, their charge injection barriers and transport properties are obviously different. The smallest charge injection barrier is observed in dendrimer devices without charge-transfer interfacial layers. The Richardson-Schottky thermionic emission model can be well used to fit the experimental current-voltage characteristics at a lower voltage region. The charge injection barrier increases about 0.4 eV and 0.5 eV when a 1-decanethiol self-assembly layer and -CN terminated dendrimer thin films are inserted as the interfacial layer, respectively. It is shown that the molecule/electrode charge-transfer interfaces can largely affect the device charge injection/transport process and consequently change the device performance. In this case, the space charge limited conduction theory is more applicable to simulate the device conduction mechanism. Owing to its ultra-thin thickness, the self-assembly monolayer technique is proved to be an efficient approach in engineering the interfacial electronic structures of dendrimer thin film devices.

  7. Study of the charge transport characteristics of dendrimer molecular thin films

    International Nuclear Information System (INIS)

    Li, J.C.; Han, N.; Wang, S.S.; Ba, D.C.

    2011-01-01

    In this work, we systematically studied the electrical characteristics of two types of dendritic arylamine thin film devices. We observed that, for devices with different interfacial structures, their charge injection barriers and transport properties are obviously different. The smallest charge injection barrier is observed in dendrimer devices without charge-transfer interfacial layers. The Richardson-Schottky thermionic emission model can be well used to fit the experimental current-voltage characteristics at a lower voltage region. The charge injection barrier increases about 0.4 eV and 0.5 eV when a 1-decanethiol self-assembly layer and -CN terminated dendrimer thin films are inserted as the interfacial layer, respectively. It is shown that the molecule/electrode charge-transfer interfaces can largely affect the device charge injection/transport process and consequently change the device performance. In this case, the space charge limited conduction theory is more applicable to simulate the device conduction mechanism. Owing to its ultra-thin thickness, the self-assembly monolayer technique is proved to be an efficient approach in engineering the interfacial electronic structures of dendrimer thin film devices.

  8. Interfacial Structures of Trihexyltetradecylphosphonium-bis(mandelato)borate Ionic Liquid Confined between Gold Electrodes.

    Science.gov (United States)

    Wang, Yong-Lei; Golets, Mikhail; Li, Bin; Sarman, Sten; Laaksonen, Aatto

    2017-02-08

    Atomistic molecular dynamics simulations have been performed to study microscopic the interfacial ionic structures, molecular arrangements, and orientational preferences of trihexyltetradecylphosphonium-bis(mandelato)borate ([P 6,6,6,14 ][BMB]) ionic liquid confined between neutral and charged gold electrodes. It was found that both [P 6,6,6,14 ] cations and [BMB] anions are coabsorbed onto neutral electrodes at different temperatures. The hexyl and tetradecyl chains in [P 6,6,6,14 ] cations lie preferentially flat on neutral electrodes. The oxalato and phenyl rings in [BMB] anions are characterized by alternative parallel-perpendicular orientations in the mixed innermost ionic layer adjacent to neutral electrodes. An increase in temperature has a marginal effect on the interfacial ionic structures and molecular orientations of [P 6,6,6,14 ][BMB] ionic species in a confined environment. Electrifying gold electrodes leads to peculiar changes in the interfacial ionic structures and molecular orientational arrangements of [P 6,6,6,14 ] cations and [BMB] anions in negatively and positively charged gold electrodes, respectively. As surface charge density increases (but lower than 20 μC/cm 2 ), the layer thickness of the mixed innermost interfacial layer gradually increases due to a consecutive accumulation of [P 6,6,6,14 ] cations and [BMB] anions at negatively and positively charged electrodes, respectively, before the formation of distinct cationic and anionic innermost layers. Meanwhile, the molecular orientations of two oxalato rings in the same [BMB] anions change gradually from a parallel-perpendicular feature to being partially characterized by a tilted arrangement at an angle of 45° from the electrodes and finally to a dominant parallel coordination pattern along positively charged electrodes. Distinctive interfacial distribution patterns are also observed accordingly for phenyl rings that are directly connected to neighboring oxalato rings in [BMB] anions.

  9. "Supersaturated" self-assembled charge-selective interfacial layers for organic solar cells.

    Science.gov (United States)

    Song, Charles Kiseok; Luck, Kyle A; Zhou, Nanjia; Zeng, Li; Heitzer, Henry M; Manley, Eric F; Goldman, Samuel; Chen, Lin X; Ratner, Mark A; Bedzyk, Michael J; Chang, Robert P H; Hersam, Mark C; Marks, Tobin J

    2014-12-24

    To achieve densely packed charge-selective organosilane-based interfacial layers (IFLs) on the tin-doped indium oxide (ITO) anodes of organic photovoltaic (OPV) cells, a series of Ar2N-(CH2)n-SiCl3 precursors with Ar = 3,4-difluorophenyl, n = 3, 6, 10, and 18, was synthesized, characterized, and chemisorbed on OPV anodes to serve as IFLs. To minimize lateral nonbonded -NAr2···Ar2N- repulsions which likely limit IFL packing densities in the resulting self-assembled monolayers (SAMs), precursor mixtures having both small and large n values are simultaneously deposited. These "heterogeneous" SAMs are characterized by a battery of techniques: contact angle measurements, X-ray reflectivity, X-ray photoelectron spectroscopy, ultraviolet photoelectron spectroscopy (UPS), cyclic voltammetry, and DFT computation. It is found that the headgroup densities of these "supersaturated" heterogeneous SAMs (SHSAMs) are enhanced by as much as 17% versus their homogeneous counterparts. Supersaturation significantly modifies the IFL properties including the work function (as much as 16%) and areal dipole moment (as much as 49%). Bulk-heterojunction OPV devices are fabricated with these SHSAMs: ITO/IFL/poly[[4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl][2-[[(2-ethylhexyl)oxy]carbonyl]-3-fluorothieno[3,4-b]thiophenediyl

  10. Effect of Concentration on the Interfacial and Bulk Structure of Ionic Liquids in Aqueous Solution.

    Science.gov (United States)

    Cheng, H-W; Weiss, H; Stock, P; Chen, Y-J; Reinecke, C R; Dienemann, J-N; Mezger, M; Valtiner, M

    2018-02-27

    Bio and aqueous applications of ionic liquids (IL) such as catalysis in micelles formed in aqueous IL solutions or extraction of chemicals from biologic materials rely on surface-active and self-assembly properties of ILs. Here, we discuss qualitative relations of the interfacial and bulk structuring of a water-soluble surface-active IL ([C 8 MIm][Cl]) on chemically controlled surfaces over a wide range of water concentrations using both force probe and X-ray scattering experiments. Our data indicate that IL structuring evolves from surfactant-like surface adsorption at low IL concentrations, to micellar bulk structure adsorption above the critical micelle concentration, to planar bilayer formation in ILs with Interfacial structuring is controlled by mesoscopic bulk structuring at high water concentrations. Surface chemistry and surface charges decisively steer interfacial ordering of ions if the water concentration is low and/or the surface charge is high. We also demonstrate that controlling the interfacial forces by using self-assembled monolayer chemistry allows tuning of interfacial structures. Both the ratio of the head group size to the hydrophobic tail volume as well as the surface charging trigger the bulk structure and offer a tool for predicting interfacial structures. Based on the applied techniques and analyses, a qualitative prediction of molecular layering of ILs in aqueous systems is possible.

  11. Pursuing Polymer Dielectric Interfacial Effect in Organic Transistors for Photosensing Performance Optimization.

    Science.gov (United States)

    Wu, Xiaohan; Chu, Yingli; Liu, Rui; Katz, Howard E; Huang, Jia

    2017-12-01

    Polymer dielectrics in organic field-effect transistors (OFETs) are essential to provide the devices with overall flexibility, stretchability, and printability and simultaneously introduce charge interaction on the interface with organic semiconductors (OSCs). The interfacial effect between various polymer dielectrics and OSCs significantly and intricately influences device performance. However, understanding of this effect is limited because the interface is buried and the interfacial charge interaction is difficult to stimulate and characterize. Here, this challenge is overcome by utilizing illumination to stimulate the interfacial effect in various OFETs and to characterize the responses of the effect by measuring photoinduced changes of the OFETs performances. This systemic investigation reveals the mechanism of the intricate interfacial effect in detail, and mathematically explains how the photosensitive OFETs characteristics are determined by parameters including polar group of the polymer dielectric and the OSC side chain. By utilizing this mechanism, performance of organic electronics can be precisely controlled and optimized. OFETs with strong interfacial effect can also show a signal additivity caused by repeated light pulses, which is applicable for photostimulated synapse emulator. Therefore, this work enlightens a detailed understanding on the interface effect and provides novel strategies for optimizing OFET photosensory performances.

  12. Geometry, charge distribution, and surface speciation of phosphate on goethite.

    NARCIS (Netherlands)

    Rahnemaie, R.; Hiemstra, T.; Riemsdijk, van W.H.

    2007-01-01

    The surface speciation of phosphate has been evaluated with surface complexation modeling using an interfacial charge distribution (CD) approach based on ion adsorption and ordering of interfacial water. In the CD model, the charge of adsorbed ions is distributed over two electrostatic potentials in

  13. Molecular Level Manipulation of Interfacial Charge Transport

    Science.gov (United States)

    Song, Charles Kiseok

    The bulk-heterojunction organic (BHJ) photovoltaics (OPVs) and lithium ion battery (LiB) have been extensively studied. Power conversion efficiency (PCE) of an OPV greater than 10% and utilizing group 4 elements as the anode to accommodate high capacity for LiBs are the goals of many studies. However, the currently ubiquitous hole-collecting layer of OPVs limit device performance and durability, and group 4 elements are unstable and brittle to be commercially produced. Thus, my thesis has focused on developing functional and durable interfacial layers (IFLs) for OPVs and characterizing flexible artificial solid-electrolyte interphase (SEI) for LiBs. In Chapter 2, a series of robust organosilane-based dipolar self-assembled monolayer (SAM) IFLs on the tin-doped indium oxide (ITO) anodes of OPVs are developed. These hydrophobic and amorphous IFLs modify anode work functions from 4.66 to 5.27 eV. Two series of Glass/ITO/SAM IFL/Active Layer/LiF/Al BHJ OPVs are fabricated, and a strong positive correlation between the electrochemically-derived heterogeneous electron transport rate constants (ks) and OPV PCEs are observed due to enhanced anode carrier extraction. In Chapter 3, a series of unusually denser organosilane-based SAM IFLs on ITO anodes of OPVs are developed. Precursor mixtures having short and long tail groups were simultaneously deposited to minimize sterical encumbrance and denser SAM IFLs are achieved. These heterogeneous supersaturated SAMs (SHSAMs), with PCE (7.62%) exceeding that of PEDOT:PSS IFL, are found to be 17% denser and enhances PCE by 54% versus comparable devices with homogeneous SAM IFLs due to enhanced charge selectivity and collection. In Chapter 4, libraries of electron affinities (EAs) of widely used conductive polymers are constructed by cyclic voltammetry (CV) in conventional and LiB media. The EAs of the conductive polymer films measured via CV in conventional (EAC) and Li+ battery (EAB) media could be linearly correlated by EAB = (1

  14. Impact of charge-transfer excitons in regioregular polythiophene on the charge separation at polythiophene-fullerene heterojunctions

    Science.gov (United States)

    Polkehn, M.; Tamura, H.; Burghardt, I.

    2018-01-01

    This study addresses the mechanism of ultrafast charge separation in regioregular oligothiophene-fullerene assemblies representative of poly-3-hexylthiophene (P3HT)-[6,6]-phenyl-C61 butyric acid methyl ester (PCBM) heterojunctions, with special emphasis on the inclusion of charge transfer excitons in the oligothiophene phase. The formation of polaronic inter-chain charge separated species in highly ordered oligothiophene has been demonstrated in recent experiments and could have a significant impact on the net charge transfer to the fullerene acceptor. The present approach combines a first-principles parametrized multi-site Hamiltonian, based on time-dependent density functional theory calculations, with accurate quantum dynamics simulations using the multi-layer multi-configuration time-dependent Hartree method. Quantum dynamical studies are carried out for up to 182 electronic states and 112 phonon modes. The present analysis follows up on our previous study of (Huix-Rotllant et al 2015 J. Phys. Chem. Lett. 6 1702) and significantly expands the scope of this analysis by including the dynamical role of charge transfer excitons. Our investigation highlights the pronounced mixing of photogenerated Frenkel excitons with charge transfer excitons in the oligothiophene domain, and the opening of new transfer channels due the creation of such charge-separated species. As a result, it turns out that the interfacial donor/acceptor charge transfer state can be largely circumvented due to the presence of charge transfer excitons. However, the latter states in turn act as a trap, such that the free carrier yield observed on ultrafast time scales is tangibly reduced. The present analysis underscores the complexity of the transfer pathways at P3HT-PCBM type junctions.

  15. Direct correlation of charge transfer absorption with molecular donor:acceptor interfacial area via photothermal deflection spectroscopy

    KAUST Repository

    Domingo, Ester

    2015-04-09

    We show that the Charge Transfer (CT) absorption signal in bulk-heterojunction (BHJ) solar cell blends, measured by photothermal deflection spectroscopy (PDS), is directly proportional to the density of molecular donor/acceptor interfaces. Since the optical transitions from ground state to the interfacial CT state are weakly allowed at photon energies below the optical gap of both donor and acceptor, we can exploit the use of this sensitive linear absorption spectroscopy for such quantification. Moreover, we determine the absolute molar extinction coefficient of the CT transition for an archetypical polymer-fullerene interface. The latter is ~100 times lower than the extinction coefficient of the donor chromophore involved, allowing us to experimentally estimate the transition dipole moment (0.3 D) and the electronic coupling between ground state and CT state to be on the order of 30 meV.

  16. Charge Recombination, Transport Dynamics, and Interfacial Effects in Organic Solar Cells

    Energy Technology Data Exchange (ETDEWEB)

    Heeger, Alan [Univ. of California, Santa Barbara, CA (United States); Bazan, Guillermo [Univ. of California, Santa Barbara, CA (United States); Nguyen, Thuc-Quyen [Univ. of California, Santa Barbara, CA (United States); Wudl, Fred [Univ. of California, Santa Barbara, CA (United States)

    2015-02-12

    The need for renewable sources of energy is well known. Conversion of sunlight to electricity using solar cells is one of the most important opportunities for creating renewable energy sources. The research carried out under DE-FG02-08ER46535 focused on the science and technology of “Plastic” solar cells comprised of organic (i.e. carbon based) semiconductors. The Bulk Heterojunction concept involves a phase separated blend of two organic semiconductors each with dimensions in the nano-meter length scale --- one a material that functions as a donor for electrons and the other a material that functions as an acceptor for electrons. The nano-scale inter-penetrating network concept for “Plastic” solar cells was created at UC Santa Barbara. A simple measure of the impact of this concept can be obtained from a Google search which gives 244,000 “hits” for the Bulk Heterojunction solar cell. Research funded through this program focused on four major areas: 1. Interfacial effects in organic photovoltaics, 2. Charge transfer and photogeneration of mobile charge carriers in organic photovoltaics, 3. Transport and recombination of the photogenerated charge carriers in organic photovoltaics, 4. Synthesis of novel organic semiconducting polymers and semiconducting small molecules, including conjugated polyelectrolytes. Following the discovery of ultrafast charge transfer at UC Santa Barbara in 1992, the nano-organic (Bulk Heterojunction) concept was formulated. The need for a morphology comprising two interpenetrating bicontinuous networks was clear: one network to carry the photogenerated electrons (negative charge) to the cathode and one network to carry the photo-generated holes (positive charge) to the anode. This remarkable self-assembled network morphology has now been established using Transmission electron Microscopy (TEM) either in the Phase Contrast mode or via TEM-Tomography. The steps involved in delivering power from a solar cell to an external circuit

  17. Interplay between Interfacial Structures and Device Performance in Organic Solar Cells: A Case Study with the Low Work Function Metal, Calcium.

    Science.gov (United States)

    Ju, Huanxin; Knesting, Kristina M; Zhang, Wei; Pan, Xiao; Wang, Chia-Hsin; Yang, Yaw-Wen; Ginger, David S; Zhu, Junfa

    2016-01-27

    A better understanding of how interfacial structure affects charge carrier recombination would benefit the development of highly efficient organic photovoltaic (OPV) devices. In this paper, transient photovoltage (TPV) and charge extraction (CE) measurements are used in combination with synchrotron radiation photoemission spectroscopy (SRPES) to gain insight into the correlation between interfacial properties and device performance. OPV devices based on PCDTBT/PC71BM with a Ca interlayer were studied as a reference system to investigate the interfacial effects on device performance. Devices with a Ca interlayer exhibit a lower recombination than devices with only an Al cathode at a given charge carrier density (n). In addition, the interfacial band structures indicate that the strong dipole moment produced by the Ca interlayer can facilitate the extraction of electrons and drive holes away from the cathode/polymer interface, resulting in beneficial reduction in interfacial recombination losses. These results help explain the higher efficiencies of devices made with Ca interlayers compared to that without the Ca interlayer.

  18. The electrostatic interaction between interfacial colloidal particles

    Science.gov (United States)

    Hurd, A. J.

    1985-11-01

    The electrostatic interaction between charged, colloidal particles trapped at an air-water interface is considered using linearised Poisson-Boltzmann results for point particles. In addition to the expected screened-Coulomb contribution, which decays exponentially, an algebraic dipole-dipole interaction occurs that may account for long-range interactions in interfacial colloidal systems.

  19. Phase-Transfer Energetics of Small-Molecule Alcohols Across the Water-Hexane Interface: Molecular Dynamics Simulation Using Charge Equilibration Models

    Science.gov (United States)

    Bauer, Brad A.; Zhong, Yang; Meninger, David J.; Davis, Joseph E.; Patel, Sandeep

    2010-01-01

    We study the water-hexane interface using molecular dynamics (MD) and polarizable charge equilibration (CHEQ) force fields. Bulk densities for TIP4P-FQ water and hexane, 1.0086±0.0002 g/cm3 and 0.6378±0.0001 g/cm3, demonstrate excellent agreement with experiment. Interfacial width and interfacial tension are consistent with previously reported values. The in-plane component of the dielectric permittivity (ε∥) for water is shown to decrease from 81.7±0.04 to unity, transitioning longitudinally from bulk water to bulk hexane. ε∥ for hexane reaches a maximum in the interface, but this term represents only a small contribution to the total dielectric constant (as expected for a non-polar species). Structurally, net orientations of the molecules arise in the interfacial region such that hexane lies slightly parallel to the interface and water reorients to maximize hydrogen bonding. Interfacial potentials due to contributions of the water and hexane are calculated to be -567.9±0.13mV and 198.7±0.01mV, respectively, giving rise to a total potential in agreement with the range of values reported from previous simulations of similar systems. Potentials of mean force (PMF) calculated for methanol, ethanol, and 1-propanol for the transfer from water to hexane indicate an interfacial free energy minimum, corresponding to the amphiphilic nature of the molecules. The magnitudes of transfer free energies were further characterized from the solvation free energies of alcohols in water and hexane using thermodynamic integration. This analysis shows that solvation free energies for alcohols in hexane are 0.2-0.3 kcal/mol too unfavorable, whereas solvation of alcohols in water is approximately 1 kcal/mol too favorable. For the pure hexane-water interfacial simulations, we observe a monotonic decrease of the water dipole moment to near-vacuum values. This suggests that the electrostatic component of the desolvation free energy is not as severe for polarizable models than

  20. Charge Carrier Dynamics at Silver Nanocluster-Molecular Acceptor Interfaces

    KAUST Repository

    Almansaf, Abdulkhaleq

    2017-07-01

    A fundamental understanding of interfacial charge transfer at donor-acceptor interfaces is very crucial as it is considered among the most important dynamical processes for optimizing performance in many light harvesting systems, including photovoltaics and photo-catalysis. In general, the photo-generated singlet excitons in photoactive materials exhibit very short lifetimes because of their dipole-allowed spin radiative decay and short diffusion lengths. In contrast, the radiative decay of triplet excitons is dipole forbidden; therefore, their lifetimes are considerably longer. The discussion in this thesis primarily focuses on the relevant parameters that are involved in charge separation (CS), charge transfer (CT), intersystem crossing (ISC) rate, triplet state lifetime, and carrier recombination (CR) at silver nanocluster (NCs) molecular-acceptors interfaces. A combination of steady-state and femto- and nanosecond broadband transient absorption spectroscopies were used to investigate the charge carrier dynamics in various donor-acceptor systems. Additionally, this thesis was prolonged to investigate some important factors that influence the charge carrier dynamics in Ag29 silver NCs donor-acceptor systems, such as the metal doping and chemical structure of the nanocluster and molecular acceptors. Interestingly, clear correlations between the steady-state measurements and timeresolved spectroscopy results are found. In the first study, we have investigated the interfacial charge transfer dynamics in positively charged meso units of 5, 10, 15, 20-tetra (1- methyl-4-pyridino)-porphyrin tetra (p-toluene sulfonate) (TMPyP) and neutral charged 5, 10, 15, 20-tetra (4-pyridyl)-porphyrin (TPyP), with negatively charged undoped and gold (Au)- doped silver Ag29 NCs. Moreover, this study showed the impact of Au doping on the charge carrier dynamics of the system. In the second study, we have investigated the interfacial charge transfer dynamics in [Pt2 Ag23 Cl7 (PPh3

  1. Contribution of the net charge to the regulatory effects of amino acids and epsilon-poly(L-lysine) on the gelatinization behavior of potato starch granules.

    Science.gov (United States)

    Ito, Azusa; Hattori, Makoto; Yoshida, Tadashi; Takahashi, Koji

    2006-01-01

    The effects of lysine (Lys), monosodium glutamate (GluNa), glycine, alanine and epsilon-poly(L-lysine) (PL) with different degrees of polymerization on the gelatinization behavior of potato starch granules were investigated by DSC, viscosity and swelling measurements, microscopic observation, and measurement of the retained amino acid amount to clarify the contribution of the net charge to their regulatory effects on the gelatinization behavior. The amino acids and PL each contributed to an increase in the gelatinization temperature, and a decrease in the peak viscosity and swelling. These effects strongly depended on the absolute value of their net charge. The disappearance of a negative or positive net charge by adjusting the pH value weakened the contribution. The swelling index and size of the potato starch granules changed according to replacement of the swelling medium. The amino acids and PL were easily retained by the swollen potato starch granules according to replacement of the outer solution of the starch granules.

  2. Measurement of net electric charge and dipole moment of dust aggregates in a complex plasma.

    Science.gov (United States)

    Yousefi, Razieh; Davis, Allen B; Carmona-Reyes, Jorge; Matthews, Lorin S; Hyde, Truell W

    2014-09-01

    Understanding the agglomeration of dust particles in complex plasmas requires knowledge of basic properties such as the net electrostatic charge and dipole moment of the dust. In this study, dust aggregates are formed from gold-coated mono-disperse spherical melamine-formaldehyde monomers in a radiofrequency (rf) argon discharge plasma. The behavior of observed dust aggregates is analyzed both by studying the particle trajectories and by employing computer models examining three-dimensional structures of aggregates and their interactions and rotations as induced by torques arising from their dipole moments. These allow the basic characteristics of the dust aggregates, such as the electrostatic charge and dipole moment, as well as the external electric field, to be determined. It is shown that the experimental results support the predicted values from computer models for aggregates in these environments.

  3. Investigation on Interfacial Charge Transfer Process in CdSexTe1-x Alloyed Quantum Dot Sensitized Solar Cells

    International Nuclear Information System (INIS)

    Wei, Huiyun; Wang, Guoshuai; Luo, Yanhong; Li, Dongmei; Meng, Qingbo

    2015-01-01

    Colloidal QDs, typically, alloyed QDs with extending light absorption range, exhibit prospective application on quantum dot-sensitized solar cells (QDSCs). In this work, CdSe 0.8 Te 0.2 alloyed QDs have been employed to assemble QDSCs, and the influence of the photoanode structure and film thickness on the cell performance has been investigated in detail. Further study on the charge transport and interfacial electron transfer processes reveals that with the film thickness increasing, recombination possibility will be remarkably enhanced. By careful control on the balance between the light absorption and carrier recombination, an optimal double-layer photoanode structure with 11.5 μm-thickness transparent and 6 μm-thickness scattering layers can present a power conversion efficiency of 7.55%, which is one of the best records for the sandwiched-type QDSCs

  4. Control of interfacial charge-transfer interaction of dye and p-CuI in solid-state dye-sensitized solar cells

    Science.gov (United States)

    Moribe, Shinya; Kato, Naohiko; Higuchi, Kazuo; Mizumoto, Katsuyoshi; Toyoda, Tatsuo

    2017-04-01

    We systematically investigated the photovoltaic and absorption characteristics of solid-state dye-sensitized solar cells with CuI to elucidate the impact of the interaction between the dye and CuI. For the ruthenium complex N719, the incident photon-to-current conversion efficiency (IPCE) on the longer-wavelength side decreased owing to the change of the metal-to-ligand charge transfer (CT) of N719 due to the interaction between the thiocyanate groups of N719 and CuI. In contrast, when D149 — which included rhodanine groups — was used, the interaction with CuI and the resultant CT increased the IPCE. The results provide a new strategy for improving the photovoltaic performance by controlling the interfacial CT between the dye and CuI.

  5. Interfacial Layer Engineering for Performance Enhancement in Polymer Solar Cells

    Directory of Open Access Journals (Sweden)

    Hao Zeng

    2015-02-01

    Full Text Available Improving power conversion efficiency and device performance stability is the most critical challenge in polymer solar cells for fulfilling their applications in industry at large scale. Various methodologies have been developed for realizing this goal, among them interfacial layer engineering has shown great success, which can optimize the electrical contacts between active layers and electrodes and lead to enhanced charge transport and collection. Interfacial layers also show profound impacts on light absorption and optical distribution of solar irradiation in the active layer and film morphology of the subsequently deposited active layer due to the accompanied surface energy change. Interfacial layer engineering enables the use of high work function metal electrodes without sacrificing device performance, which in combination with the favored kinetic barriers against water and oxygen penetration leads to polymer solar cells with enhanced performance stability. This review provides an overview of the recent progress of different types of interfacial layer materials, including polymers, small molecules, graphene oxides, fullerene derivatives, and metal oxides. Device performance enhancement of the resulting solar cells will be elucidated and the function and operation mechanism of the interfacial layers will be discussed.

  6. Effect of Surface Hydration on Antifouling Properties of Mixed Charged Polymers.

    Science.gov (United States)

    Leng, Chuan; Huang, Hao; Zhang, Kexin; Hung, Hsiang-Chieh; Xu, Yao; Li, Yaoxin; Jiang, Shaoyi; Chen, Zhan

    2018-05-07

    Interfacial water structure on a polymer surface in water (or surface hydration) is related to the antifouling activity of the polymer. Zwitterionic polymer materials exhibit excellent antifouling activity due to their strong surface hydration. It was proposed to replace zwitterionic polymers using mixed charged polymers because it is much easier to prepare mixed charged polymer samples with much lower costs. In this study, using sum frequency generation (SFG) vibrational spectroscopy, we investigated interfacial water structures on mixed charged polymer surfaces in water, and how such structures change while exposing to salt solutions and protein solutions. The 1:1 mixed charged polymer exhibits excellent antifouling property while other mixed charged polymers with different ratios of the positive/negative charges do not. It was found that on the 1:1 mixed charged polymer surface, SFG water signal is dominated by the contribution of the strongly hydrogen bonded water molecules, indicating strong hydration of the polymer surface. The responses of the 1:1 mixed charged polymer surface to salt solutions are similar to those of zwitterionic polymers. Interestingly, exposure to high concentrations of salt solutions leads to stronger hydration of the 1:1 mixed charged polymer surface after replacing the salt solution with water. Protein molecules do not substantially perturb the interfacial water structure on the 1:1 mixed charged polymer surface and do not adsorb to the surface, showing that this mixed charged polymer is an excellent antifouling material.

  7. Charge modulated interfacial conductivity in SrTiO3-based oxide heterostructures

    DEFF Research Database (Denmark)

    Chen, Yunzhong; Stamate, Eugen; Pryds, Nini

    2011-01-01

    When depositing amorphous SrTiO3 (STO) films on crystalline STO substrates by pulsed laser deposition, metallic interfaces are observed, though both materials are band-gap insulators. The interfacial conductivity exhibits strong dependence on oxygen pressure during film growth, which is closely...

  8. Liquid flow along a solid surface reversibly alters interfacial chemistry.

    Science.gov (United States)

    Lis, Dan; Backus, Ellen H G; Hunger, Johannes; Parekh, Sapun H; Bonn, Mischa

    2014-06-06

    In nature, aqueous solutions often move collectively along solid surfaces (for example, raindrops falling on the ground and rivers flowing through riverbeds). However, the influence of such motion on water-surface interfacial chemistry is unclear. In this work, we combine surface-specific sum frequency generation spectroscopy and microfluidics to show that at immersed calcium fluoride and fused silica surfaces, flow leads to a reversible modification of the surface charge and subsequent realignment of the interfacial water molecules. Obtaining equivalent effects under static conditions requires a substantial change in bulk solution pH (up to 2 pH units), demonstrating the coupling between flow and chemistry. These marked flow-induced variations in interfacial chemistry should substantially affect our understanding and modeling of chemical processes at immersed surfaces. Copyright © 2014, American Association for the Advancement of Science.

  9. Liquid metal actuation by electrical control of interfacial tension

    Energy Technology Data Exchange (ETDEWEB)

    Eaker, Collin B.; Dickey, Michael D., E-mail: michael-dickey@ncsu.edu [Department of Chemical and Biomolecular Engineering, North Carolina State University, 911 Partners Way, Raleigh, North Carolina 27695 (United States)

    2016-09-15

    By combining metallic electrical conductivity with low viscosity, liquid metals and liquid metal alloys offer new and exciting opportunities to serve as reconfigurable components of electronic, microfluidic, and electromagnetic devices. Here, we review the physics and applications of techniques that utilize voltage to manipulate the interfacial tension of liquid metals; such techniques include electrocapillarity, continuous electrowetting, electrowetting-on-dielectric, and electrochemistry. These techniques lower the interfacial tension between liquid metals and a surrounding electrolyte by driving charged species (or in the case of electrochemistry, chemical species) to the interface. The techniques are useful for manipulating and actuating liquid metals at sub-mm length scales where interfacial forces dominate. We focus on metals and alloys that are liquid near or below room temperature (mercury, gallium, and gallium-based alloys). The review includes discussion of mercury—despite its toxicity—because it has been utilized in numerous applications and it offers a way of introducing several phenomena without the complications associated with the oxide layer that forms on gallium and its alloys. The review focuses on the advantages, applications, opportunities, challenges, and limitations of utilizing voltage to control interfacial tension as a method to manipulate liquid metals.

  10. Understanding Interfacial Alignment in Solution Coated Conjugated Polymer Thin Films

    International Nuclear Information System (INIS)

    Qu, Ge; Zhao, Xikang; Newbloom, Gregory M.; Zhang, Fengjiao; Mohammadi, Erfan

    2017-01-01

    Domain alignment in conjugated polymer thin films can significantly enhance charge carrier mobility. However, the alignment mechanism during meniscus-guided solution coating remains unclear. Furthermore, interfacial alignment has been rarely studied despite its direct relevance and critical importance to charge transport. In this study, we uncover a significantly higher degree of alignment at the top interface of solution coated thin films, using a donor–acceptor conjugated polymer, poly(diketopyrrolopyrrole-co-thiopheneco- thieno[3,2-b]thiophene-co-thiophene) (DPP2T-TT), as the model system. At the molecular level, we observe in-plane π–π stacking anisotropy of up to 4.8 near the top interface with the polymer backbone aligned parallel to the coating direction. The bulk of the film is only weakly aligned with the backbone oriented transverse to coating. At the mesoscale, we observe a well-defined fibril-like morphology at the top interface with the fibril long axis pointing toward the coating direction. Significantly smaller fibrils with poor orientational order are found on the bottom interface, weakly aligned orthogonal to the fibrils on the top interface. The high degree of alignment at the top interface leads to a charge transport anisotropy of up to 5.4 compared to an anisotropy close to 1 on the bottom interface. We attribute the formation of distinct interfacial morphology to the skin-layer formation associated with high Peclet number, which promotes crystallization on the top interface while suppressing it in the bulk. As a result, we further infer that the interfacial fibril alignment is driven by the extensional flow on the top interface arisen from increasing solvent evaporation rate closer to the meniscus front.

  11. Nb and Ta layer doping effects on the interfacial energetics and electronic properties of LaAlO3/SrTiO3 heterostructure: first-principles analysis.

    Science.gov (United States)

    Nazir, Safdar; Behtash, Maziar; Cheng, Jianli; Luo, Jian; Yang, Kesong

    2016-01-28

    The two-dimensional electron gas (2DEG) formed at the n-type (LaO)(+1)/(TiO2)(0) interface in the polar/nonpolar LaAlO3/SrTiO3 (LAO/STO) heterostructure (HS) has emerged as a prominent research area because of its great potential for nanoelectronic applications. Due to its practical implementation in devices, desired physical properties such as high charge carrier density and mobility are vital. In this respect, 4d and 5d transition metal doping near the interfacial region is expected to tailor electronic properties of the LAO/STO HS system effectively. Herein, we studied Nb and Ta-doping effects on the energetics, electronic structure, interfacial charge carrier density, magnetic moment, and the charge confinements of the 2DEG at the n-type (LaO)(+1)/(TiO2)(0) interface of LAO/STO HS using first-principles density functional theory calculations. We found that the substitutional doping of Nb(Ta) at Ti [Nb(Ta)@Ti] and Al [Nb(Ta)@Al] sites is energetically more favorable than that at La [Nb(Ta)@La] and Sr [Nb(Ta)@Sr] sites, and under appropriate thermodynamic conditions, the changes in the interfacial energy of HS systems upon Nb(Ta)@Ti and Nb(Ta)@Al doping are negative, implying that the formation of these structures is energetically favored. Our calculations also showed that Nb(Ta)@Ti and Nb(Ta)@Al doping significantly improve the interfacial charge carrier density with respect to that of the undoped system, which is because the Nb(Ta) dopant introduces excess free electrons into the system, and these free electrons reside mainly on the Nb(Ta) ions and interfacial Ti ions. Hence, along with the Ti 3d orbitals, the Nb 4d and Ta 5d orbitals also contribute to the interfacial metallic states; accordingly, the magnetic moments on the interfacial Ti ions increase significantly. As expected, the Nb@Al and Ta@Al doped LAO/STO HS systems show higher interfacial charge carrier density than the undoped and other doped systems. In contrast, Nb@Ti and Ta@Ti doped systems may

  12. Highly reversible and fast sodium storage boosted by improved interfacial and surface charge transfer derived from the synergistic effect of heterostructures and pseudocapacitance in SnO2-based anodes.

    Science.gov (United States)

    Li, Xin; Sun, Xiaohong; Gao, Zhiwen; Hu, Xudong; Ling, Rui; Cai, Shu; Zheng, Chunming; Hu, Wenbin

    2018-02-01

    Sodium-ion batteries have attracted worldwide attention as potential alternatives for large scale stationary energy storage due to the rich reserves and low cost of sodium resources. However, the practical application of sodium-ion batteries is restricted by unsatisfying capacity and poor rate capability. Herein, a novel mechanism of improving both interfacial and surface charge transfer is proposed by fabricating a graphene oxide/SnO 2 /Co 3 O 4 nanocomposite through a simple hydrothermal method. The formation of heterostructures between ultrafine SnO 2 and Co 3 O 4 could enhance the charge transfer of interfaces owing to the internal electric field. The pseudocapacitive effect, which is led by the high specific area and the existence of ultrafine nanoparticles, takes on a feature of fast faradaic surface charge-transfer. Benefiting from the synergistic advantages of the heterostructures and the pseudocapacitive effect, the as-prepared graphene oxide/SnO 2 /Co 3 O 4 anode achieved a high reversible capacity of 461 mA h g -1 after 80 cycles at a current density of 0.1 A g -1 . Additionally, at a high current density of 1 A g -1 , a high reversible capacity of 241 mA h g -1 after 500 cycles is obtained. A full cell coupled by the as-prepared graphene oxide/SnO 2 /Co 3 O 4 anode and the Na 3 V 2 (PO 4 ) 3 cathode was also constructed, which exhibited a reversible capacity of 310.3 mA h g -1 after 100 cycles at a current density of 1 A g -1 . This method of improving both interfacial and surface charge transfer may pave the way for the development of high performance sodium-ion batteries.

  13. Net air emissions from electric vehicles: the effect of carbon price and charging strategies.

    Science.gov (United States)

    Peterson, Scott B; Whitacre, J F; Apt, Jay

    2011-03-01

    Plug-in hybrid electric vehicles (PHEVs) may become part of the transportation fleet on time scales of a decade or two. We calculate the electric grid load increase and emissions due to vehicle battery charging in PJM and NYISO with the current generation mix, the current mix with a $50/tonne CO(2) price, and this case but with existing coal generators retrofitted with 80% CO(2) capture. We also examine all new generation being natural gas or wind+gas. PHEV fleet percentages between 0.4 and 50% are examined. Vehicles with small (4 kWh) and large (16 kWh) batteries are modeled with driving patterns from the National Household Transportation Survey. Three charging strategies and three scenarios for future electric generation are considered. When compared to 2020 CAFE standards, net CO(2) emissions in New York are reduced by switching from gasoline to electricity; coal-heavy PJM shows somewhat smaller benefits unless coal units are fitted with CCS or replaced with lower CO(2) generation. NO(X) is reduced in both RTOs, but there is upward pressure on SO(2) emissions or allowance prices under a cap.

  14. 47 CFR 69.302 - Net investment.

    Science.gov (United States)

    2010-10-01

    ...) Investment in Accounts 2002, 2003 and to the extent such inclusions are allowed by this Commission, Account... Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) COMMON CARRIER SERVICES (CONTINUED) ACCESS CHARGES Apportionment of Net Investment § 69.302 Net investment. (a) Investment in Accounts 2001, 1220 and Class B Rural...

  15. Charge trapping at organic/self-assembly molecule interfaces studied by electrical switching behaviour in a crosspoint structure

    International Nuclear Information System (INIS)

    Li Yun; Pan Lijia; Pu Lin; Shi Yi; Liu Chuan; Tsukagoshi, Kazuhito

    2012-01-01

    Charge trapping at organic/self-assembly molecule (SAM) interfaces is studied by the electrical switching behaviour in a crosspoint structure, where interfacial charge trapping tunes the potential barrier of the SAM layer. The sample with rubrene exhibits the write-once read-many-times memory effect, which is due to the interfacial charges trapped at deep states. On the other hand, the sample with 2-amino-4,5-dicyanoimidazole presents recyclable conduction transition, which results from the trapped charges distributed at shallow states. Moreover, the percentage of the charges trapped at shallow states can be estimated from electrical transition levels. (paper)

  16. Charge trapping at organic/self-assembly molecule interfaces studied by electrical switching behaviour in a crosspoint structure

    Science.gov (United States)

    Li, Yun; Liu, Chuan; Pan, Lijia; Pu, Lin; Tsukagoshi, Kazuhito; Shi, Yi

    2012-01-01

    Charge trapping at organic/self-assembly molecule (SAM) interfaces is studied by the electrical switching behaviour in a crosspoint structure, where interfacial charge trapping tunes the potential barrier of the SAM layer. The sample with rubrene exhibits the write-once read-many-times memory effect, which is due to the interfacial charges trapped at deep states. On the other hand, the sample with 2-amino-4,5-dicyanoimidazole presents recyclable conduction transition, which results from the trapped charges distributed at shallow states. Moreover, the percentage of the charges trapped at shallow states can be estimated from electrical transition levels.

  17. Engineering Pt/Pd Interfacial Electronic Structures for Highly Efficient Hydrogen Evolution and Alcohol Oxidation.

    Science.gov (United States)

    Fan, Jinchang; Qi, Kun; Zhang, Lei; Zhang, Haiyan; Yu, Shansheng; Cui, Xiaoqiang

    2017-05-31

    Tailoring the interfacial structure of Pt-based catalysts has emerged as an effective strategy to improve catalytic activity. However, little attention has been focused on investigating the relationship between the interfacial facets and their catalytic activity. Here, we design and implement Pd-Pt interfaces with controlled heterostructure features by epitaxially growing Pt nanoparticles on Pd nanosheets. On the basis of both density functional theory calculation and experimental results, we demonstrate that charge transfer from Pd to Pt is highly dependent on the interfacial facets of Pd substrates. Therefore, the Pd-Pt heterostructure with Pd(100)-Pt interface exhibits excellent activity and long-term stability for hydrogen evolution and methanol/ethanol oxidation reactions in alkaline medium, much better than that with Pd (111)-Pt interface or commercial Pt/C. Interfacial crystal facet-dependent electronic structural modulation sheds a light on the design and investigation of new heterostructures for high-activity catalysts.

  18. Interfacial phenomenon theory

    International Nuclear Information System (INIS)

    Kim, Jong Deuk

    2000-02-01

    This book is composed of 8 chapters. It tells what interfacial phenomenon is by showing interfacial energy, characteristic of interface and system of interface from chapter 1. It also introduces interfacial energy and structure theory, molecular structure and orientation theory, and interfacial electricity phenomenon theory in the following 3 chapters. It still goes on by introducing super molecule cluster, disequilibrium dispersion, and surface and film through 3 chapters. And the last chapter is about colloid and application of interface.

  19. Effect of Molecular Packing and Charge Delocalization on the Nonradiative Recombination of Charge-Transfer States in Organic Solar Cells

    KAUST Repository

    Chen, Xiankai

    2016-09-05

    In organic solar cells, a major source of energy loss is attributed to nonradiative recombination from the interfacial charge transfer states to the ground state. By taking pentacene–C60 complexes as model donor–acceptor systems, a comprehensive theoretical understanding of how molecular packing and charge delocalization impact these nonradiative recombination rates at donor–acceptor interfaces is provided.

  20. On well-posedness of variational models of charged drops.

    Science.gov (United States)

    Muratov, Cyrill B; Novaga, Matteo

    2016-03-01

    Electrified liquids are well known to be prone to a variety of interfacial instabilities that result in the onset of apparent interfacial singularities and liquid fragmentation. In the case of electrically conducting liquids, one of the basic models describing the equilibrium interfacial configurations and the onset of instability assumes the liquid to be equipotential and interprets those configurations as local minimizers of the energy consisting of the sum of the surface energy and the electrostatic energy. Here we show that, surprisingly, this classical geometric variational model is mathematically ill-posed irrespective of the degree to which the liquid is electrified. Specifically, we demonstrate that an isolated spherical droplet is never a local minimizer, no matter how small is the total charge on the droplet, as the energy can always be lowered by a smooth, arbitrarily small distortion of the droplet's surface. This is in sharp contrast to the experimental observations that a critical amount of charge is needed in order to destabilize a spherical droplet. We discuss several possible regularization mechanisms for the considered free boundary problem and argue that well-posedness can be restored by the inclusion of the entropic effects resulting in finite screening of free charges.

  1. Effects of system net charge and electrostatic truncation on all-atom constant pH molecular dynamics.

    Science.gov (United States)

    Chen, Wei; Shen, Jana K

    2014-10-15

    Constant pH molecular dynamics offers a means to rigorously study the effects of solution pH on dynamical processes. Here, we address two critical questions arising from the most recent developments of the all-atom continuous constant pH molecular dynamics (CpHMD) method: (1) What is the effect of spatial electrostatic truncation on the sampling of protonation states? (2) Is the enforcement of electrical neutrality necessary for constant pH simulations? We first examined how the generalized reaction field and force-shifting schemes modify the electrostatic forces on the titration coordinates. Free energy simulations of model compounds were then carried out to delineate the errors in the deprotonation free energy and salt-bridge stability due to electrostatic truncation and system net charge. Finally, CpHMD titration of a mini-protein HP36 was used to understand the manifestation of the two types of errors in the calculated pK(a) values. The major finding is that enforcing charge neutrality under all pH conditions and at all time via cotitrating ions significantly improves the accuracy of protonation-state sampling. We suggest that such finding is also relevant for simulations with particle mesh Ewald, considering the known artifacts due to charge-compensating background plasma. Copyright © 2014 Wiley Periodicals, Inc.

  2. Accurate determination of interfacial protein secondary structure by combining interfacial-sensitive amide I and amide III spectral signals.

    Science.gov (United States)

    Ye, Shuji; Li, Hongchun; Yang, Weilai; Luo, Yi

    2014-01-29

    Accurate determination of protein structures at the interface is essential to understand the nature of interfacial protein interactions, but it can only be done with a few, very limited experimental methods. Here, we demonstrate for the first time that sum frequency generation vibrational spectroscopy can unambiguously differentiate the interfacial protein secondary structures by combining surface-sensitive amide I and amide III spectral signals. This combination offers a powerful tool to directly distinguish random-coil (disordered) and α-helical structures in proteins. From a systematic study on the interactions between several antimicrobial peptides (including LKα14, mastoparan X, cecropin P1, melittin, and pardaxin) and lipid bilayers, it is found that the spectral profiles of the random-coil and α-helical structures are well separated in the amide III spectra, appearing below and above 1260 cm(-1), respectively. For the peptides with a straight backbone chain, the strength ratio for the peaks of the random-coil and α-helical structures shows a distinct linear relationship with the fraction of the disordered structure deduced from independent NMR experiments reported in the literature. It is revealed that increasing the fraction of negatively charged lipids can induce a conformational change of pardaxin from random-coil to α-helical structures. This experimental protocol can be employed for determining the interfacial protein secondary structures and dynamics in situ and in real time without extraneous labels.

  3. Net-Charge Fluctuations in Pb-Pb collisions at $\\sqrt{s_{NN}}= 2.76$ TeV

    CERN Document Server

    Abelev, Betty; Adamova, Dagmar; Adare, Andrew Marshall; Aggarwal, Madan; Aglieri Rinella, Gianluca; Agocs, Andras Gabor; Agostinelli, Andrea; Aguilar Salazar, Saul; Ahammed, Zubayer; Ahmad, Arshad; Ahmad, Nazeer; Ahn, Sang Un; Akindinov, Alexander; Aleksandrov, Dmitry; Alessandro, Bruno; Alfaro Molina, Jose Ruben; Alici, Andrea; Alkin, Anton; Almaraz Avina, Erick Jonathan; Alme, Johan; Alt, Torsten; Altini, Valerio; Altinpinar, Sedat; Altsybeev, Igor; Andrei, Cristian; Andronic, Anton; Anguelov, Venelin; Anielski, Jonas; Anticic, Tome; Antinori, Federico; Antonioli, Pietro; Aphecetche, Laurent Bernard; Appelshauser, Harald; Arbor, Nicolas; Arcelli, Silvia; Armesto, Nestor; Arnaldi, Roberta; Aronsson, Tomas Robert; Arsene, Ionut Cristian; Arslandok, Mesut; Augustinus, Andre; Averbeck, Ralf Peter; Awes, Terry; Aysto, Juha Heikki; Azmi, Mohd Danish; Bach, Matthias Jakob; Badala, Angela; Baek, Yong Wook; Bailhache, Raphaelle Marie; Bala, Renu; Baldini Ferroli, Rinaldo; Baldisseri, Alberto; Baldit, Alain; Baltasar Dos Santos Pedrosa, Fernando; Ban, Jaroslav; Baral, Rama Chandra; Barbera, Roberto; Barile, Francesco; Barnafoldi, Gergely Gabor; Barnby, Lee Stuart; Barret, Valerie; Bartke, Jerzy Gustaw; Basile, Maurizio; Bastid, Nicole; Basu, Sumit; Bathen, Bastian; Batigne, Guillaume; Batyunya, Boris; Baumann, Christoph Heinrich; Bearden, Ian Gardner; Beck, Hans; Behera, Nirbhay Kumar; Belikov, Iouri; Bellini, Francesca; Bellwied, Rene; Belmont-Moreno, Ernesto; Bencedi, Gyula; Beole, Stefania; Berceanu, Ionela; Bercuci, Alexandru; Berdnikov, Yaroslav; Berenyi, Daniel; Bergognon, Anais Annick Erica; Berzano, Dario; Betev, Latchezar; Bhasin, Anju; Bhati, Ashok Kumar; Bhom, Jihyun; Bianchi, Livio; Bianchi, Nicola; Bianchin, Chiara; Bielcik, Jaroslav; Bielcikova, Jana; Bilandzic, Ante; Bjelogrlic, Sandro; Blanco, F; Blanco, Francesco; Blau, Dmitry; Blume, Christoph; Bock, Nicolas; Boettger, Stefan; Bogdanov, Alexey; Boggild, Hans; Bogolyubsky, Mikhail; Boldizsar, Laszlo; Bombara, Marek; Book, Julian; Borel, Herve; Borissov, Alexander; Bose, Suvendu Nath; Bossu, Francesco; Botje, Michiel; Boyer, Bruno Alexandre; Braidot, Ermes; Braun-Munzinger, Peter; Bregant, Marco; Breitner, Timo Gunther; Browning, Tyler Allen; Broz, Michal; Brun, Rene; Bruna, Elena; Bruno, Giuseppe Eugenio; Budnikov, Dmitry; Buesching, Henner; Bufalino, Stefania; Busch, Oliver; Buthelezi, Edith Zinhle; Caffarri, Davide; Cai, Xu; Caines, Helen Louise; Calvo Villar, Ernesto; Camerini, Paolo; Canoa Roman, Veronica; Cara Romeo, Giovanni; Carena, Francesco; Carena, Wisla; Carminati, Federico; Casanova Diaz, Amaya Ofelia; Castillo Castellanos, Javier Ernesto; Casula, Ester Anna Rita; Catanescu, Vasile; Cavicchioli, Costanza; Ceballos Sanchez, Cesar; Cepila, Jan; Cerello, Piergiorgio; Chang, Beomsu; Chapeland, Sylvain; Charvet, Jean-Luc Fernand; Chattopadhyay, Sukalyan; Chattopadhyay, Subhasis; Chawla, Isha; Cherney, Michael Gerard; Cheshkov, Cvetan; Cheynis, Brigitte; Chiavassa, Emilio; Chibante Barroso, Vasco Miguel; Chinellato, David; Chochula, Peter; Chojnacki, Marek; Choudhury, Subikash; Christakoglou, Panagiotis; Christensen, Christian Holm; Christiansen, Peter; Chujo, Tatsuya; Chung, Suh-Urk; Cicalo, Corrado; Cifarelli, Luisa; Cindolo, Federico; Cleymans, Jean Willy Andre; Coccetti, Fabrizio; Colamaria, Fabio; Colella, Domenico; Conesa Balbastre, Gustavo; Conesa del Valle, Zaida; Constantin, Paul; Contin, Giacomo; Contreras, Jesus Guillermo; Cormier, Thomas Michael; Corrales Morales, Yasser; Cortes Maldonado, Ismael; Cortese, Pietro; Cosentino, Mauro Rogerio; Costa, Filippo; Cotallo, Manuel Enrique; Crochet, Philippe; Cruz Alaniz, Emilia; Cuautle, Eleazar; Cunqueiro, Leticia; D'Erasmo, Ginevra; Dainese, Andrea; Dalsgaard, Hans Hjersing; Danu, Andrea; Das, Debasish; Das, Indranil; Das, Kushal; Dash, Ajay Kumar; Dash, Sadhana; De, Sudipan; de Barros, Gabriel; De Caro, Annalisa; de Cataldo, Giacinto; de Cuveland, Jan; De Falco, Alessandro; De Gruttola, Daniele; De Marco, Nora; De Pasquale, Salvatore; de Rooij, Raoul Stefan; Delagrange, Hugues; Deloff, Andrzej; Demanov, Vyacheslav; Denes, Ervin; Deppman, Airton; Di Bari, Domenico; Di Giglio, Carmelo; Di Liberto, Sergio; Di Mauro, Antonio; Di Nezza, Pasquale; Diaz Corchero, Miguel Angel; Dietel, Thomas; Divia, Roberto; Djuvsland, Oeystein; Dobrin, Alexandru Florin; Dobrowolski, Tadeusz Antoni; Dominguez, Isabel; Donigus, Benjamin; Dordic, Olja; Driga, Olga; Dubey, Anand Kumar; Dubla, Andrea; Ducroux, Laurent; Dupieux, Pascal; Dutta Majumdar, AK; Dutta Majumdar, Mihir Ranjan; Elia, Domenico; Emschermann, David Philip; Engel, Heiko; Erazmus, Barbara; Erdal, Hege Austrheim; Espagnon, Bruno; Estienne, Magali Danielle; Esumi, Shinichi; Evans, David; Eyyubova, Gyulnara; Fabris, Daniela; Faivre, Julien; Falchieri, Davide; Fantoni, Alessandra; Fasel, Markus; Fedunov, Anatoly; Fehlker, Dominik; Feldkamp, Linus; Felea, Daniel; Fenton-Olsen, Bo; Feofilov, Grigory; Fernandez Tellez, Arturo; Ferretti, Alessandro; Ferretti, Roberta; Festanti, Andrea; Figiel, Jan; Figueredo, Marcel; Filchagin, Sergey; Finogeev, Dmitry; Fionda, Fiorella; Fiore, Enrichetta Maria; Floris, Michele; Foertsch, Siegfried Valentin; Foka, Panagiota; Fokin, Sergey; Fragiacomo, Enrico; Francescon, Andrea; Frankenfeld, Ulrich Michael; Fuchs, Ulrich; Furget, Christophe; Fusco Girard, Mario; Gaardhoje, Jens Joergen; Gagliardi, Martino; Gago, Alberto; Gallio, Mauro; Gangadharan, Dhevan Raja; Ganoti, Paraskevi; Garabatos, Jose; Garcia-Solis, Edmundo; Garishvili, Irakli; Gerhard, Jochen; Germain, Marie; Geuna, Claudio; Gheata, Andrei George; Gheata, Mihaela; Ghidini, Bruno; Ghosh, Premomoy; Gianotti, Paola; Girard, Martin Robert; Giubellino, Paolo; Gladysz-Dziadus, Ewa; Glassel, Peter; Gomez, Ramon; Gonzalez Ferreiro, Elena; Gonzalez-Trueba, Laura Helena; Gonzalez-Zamora, Pedro; Gorbunov, Sergey; Goswami, Ankita; Gotovac, Sven; Grabski, Varlen; Graczykowski, Lukasz Kamil; Grajcarek, Robert; Grelli, Alessandro; Grigoras, Alina Gabriela; Grigoras, Costin; Grigoriev, Vladislav; Grigoryan, Ara; Grigoryan, Smbat; Grinyov, Boris; Grion, Nevio; Grosse-Oetringhaus, Jan Fiete; Grossiord, Jean-Yves; Grosso, Raffaele; Guber, Fedor; Guernane, Rachid; Guerra Gutierrez, Cesar; Guerzoni, Barbara; Guilbaud, Maxime Rene Joseph; Gulbrandsen, Kristjan Herlache; Gunji, Taku; Gupta, Anik; Gupta, Ramni; Gutbrod, Hans; Haaland, Oystein Senneset; Hadjidakis, Cynthia Marie; Haiduc, Maria; Hamagaki, Hideki; Hamar, Gergoe; Hanratty, Luke David; Hansen, Alexander; Harmanova, Zuzana; Harris, John William; Hartig, Matthias; Hasegan, Dumitru; Hatzifotiadou, Despoina; Hayrapetyan, Arsen; Heckel, Stefan Thomas; Heide, Markus Ansgar; Helstrup, Haavard; Herghelegiu, Andrei Ionut; Herrera Corral, Gerardo Antonio; Herrmann, Norbert; Hess, Benjamin Andreas; Hetland, Kristin Fanebust; Hicks, Bernard; Hille, Per Thomas; Hippolyte, Boris; Horaguchi, Takuma; Hori, Yasuto; Hristov, Peter Zahariev; Hrivnacova, Ivana; Huang, Meidana; Humanic, Thomas; Hwang, Dae Sung; Ichou, Raphaelle; Ilkaev, Radiy; Ilkiv, Iryna; Inaba, Motoi; Incani, Elisa; Innocenti, Gian Michele; Ippolitov, Mikhail; Irfan, Muhammad; Ivan, Cristian George; Ivanov, Andrey; Ivanov, Marian; Ivanov, Vladimir; Ivanytskyi, Oleksii; Jacobs, Peter; Janik, Malgorzata Anna; Janik, Rudolf; Jayarathna, Sandun; Jena, Satyajit; Jha, Deeptanshu Manu; Jimenez Bustamante, Raul Tonatiuh; Jirden, Lennart; Jones, Peter Graham; Jung, Hyung Taik; Jusko, Anton; Kakoyan, Vanik; Kalcher, Sebastian; Kalinak, Peter; Kalliokoski, Tuomo Esa Aukusti; Kalweit, Alexander Philipp; Kang, Ju Hwan; Kaplin, Vladimir; Karasu Uysal, Ayben; Karavichev, Oleg; Karavicheva, Tatiana; Karpechev, Evgeny; Kazantsev, Andrey; Kebschull, Udo Wolfgang; Keidel, Ralf; Khan, Mohisin Mohammed; Khan, Palash; Khan, Shuaib Ahmad; Khanzadeev, Alexei; Kharlov, Yury; Kileng, Bjarte; Kim, Beomkyu; Kim, Dong Jo; Kim, Do Won; Kim, Jonghyun; Kim, Jin Sook; Kim, Minwoo; Kim, Mimae; Kim, Se Yong; Kim, Seon Hee; Kim, Taesoo; Kirsch, Stefan; Kisel, Ivan; Kiselev, Sergey; Kisiel, Adam Ryszard; Klay, Jennifer Lynn; Klein, Jochen; Klein-Bosing, Christian; Kluge, Alexander; Knichel, Michael Linus; Knospe, Anders Garritt; Koch, Kathrin; Kohler, Markus; Kollegger, Thorsten; Kolojvari, Anatoly; Kondratiev, Valery; Kondratyeva, Natalia; Konevskih, Artem; Korneev, Andrey; Kour, Ravjeet; Kowalski, Marek; Kox, Serge; Koyithatta Meethaleveedu, Greeshma; Kral, Jiri; Kralik, Ivan; Kramer, Frederick; Kraus, Ingrid Christine; Krawutschke, Tobias; Krelina, Michal; Kretz, Matthias; Krivda, Marian; Krizek, Filip; Krus, Miroslav; Kryshen, Evgeny; Krzewicki, Mikolaj; Kucheriaev, Yury; Kugathasan, Thanushan; Kuhn, Christian Claude; Kuijer, Paul; Kulakov, Igor; Kumar, Jitendra; Kurashvili, Podist; Kurepin, A; Kurepin, AB; Kuryakin, Alexey; Kushpil, Svetlana; Kushpil, Vasily; Kweon, Min Jung; Kwon, Youngil; La Pointe, Sarah Louise; La Rocca, Paola; Ladron de Guevara, Pedro; Lakomov, Igor; Langoy, Rune; Lara, Camilo Ernesto; Lardeux, Antoine Xavier; Lazzeroni, Cristina; Le Bornec, Yves; Lea, Ramona; Lechman, Mateusz; Lee, Graham Richard; Lee, Ki Sang; Lee, Sung Chul; Lefevre, Frederic; Lehnert, Joerg Walter; Leistam, Lars; Lemmon, Roy Crawford; Lenti, Vito; Leon Monzon, Ildefonso; Leon Vargas, Hermes; Leoncino, Marco; Levai, Peter; Lien, Jorgen; Lietava, Roman; Lindal, Svein; Lindenstruth, Volker; Lippmann, Christian; Lisa, Michael Annan; Liu, Lijiao; Loggins, Vera; Loginov, Vitaly; Lohn, Stefan Bernhard; Lohner, Daniel; Loizides, Constantinos; Loo, Kai Krister; Lopez, Xavier Bernard; Lopez Torres, Ernesto; Lovhoiden, Gunnar; Lu, Xianguo; Luettig, Philipp; Lunardon, Marcello; Luo, Jiebin; Luparello, Grazia; Luquin, Lionel; Luzzi, Cinzia; Ma, Rongrong; Maevskaya, Alla; Mager, Magnus; Mahapatra, Durga Prasad; Maire, Antonin; Mal'Kevich, Dmitry; Malaev, Mikhail; Maldonado Cervantes, Ivonne Alicia; Malinina, Ludmila; Malzacher, Peter; Mamonov, Alexander; Manceau, Loic Henri Antoine; Manko, Vladislav; Manso, Franck; Manzari, Vito; Mao, Yaxian; Marchisone, Massimiliano; Mares, Jiri; Margagliotti, Giacomo Vito; Margotti, Anselmo; Marin, Ana Maria; Marin Tobon, Cesar Augusto; Markert, Christina; Martashvili, Irakli; Martinengo, Paolo; Martinez, Mario Ivan; Martinez Davalos, Arnulfo; Martinez Garcia, Gines; Martynov, Yevgen; Mas, Alexis Jean-Michel; Masciocchi, Silvia; Masera, Massimo; Masoni, Alberto; Mastroserio, Annalisa; Matthews, Zoe Louise; Matyja, Adam Tomasz; Mayer, Christoph; Mazer, Joel; Mazzoni, Alessandra Maria; Meddi, Franco; Menchaca-Rocha, Arturo Alejandro; Mercado Perez, Jorge; Meres, Michal; Miake, Yasuo; Milano, Leonardo; Milosevic, Jovan; Mischke, Andre; Mishra, Aditya Nath; Miskowiec, Dariusz; Mitu, Ciprian Mihai; Mlynarz, Jocelyn; Mohanty, Bedangadas; Molnar, Levente; Montano Zetina, Luis Manuel; Monteno, Marco; Montes, Esther; Moon, Taebong; Morando, Maurizio; Moreira De Godoy, Denise Aparecida; Moretto, Sandra; Morsch, Andreas; Muccifora, Valeria; Mudnic, Eugen; Muhuri, Sanjib; Mukherjee, Maitreyee; Muller, Hans; Munhoz, Marcelo; Musa, Luciano; Musso, Alfredo; Nandi, Basanta Kumar; Nania, Rosario; Nappi, Eugenio; Nattrass, Christine; Naumov, Nikolay; Navin, Sparsh; Nayak, Tapan Kumar; Nazarenko, Sergey; Nazarov, Gleb; Nedosekin, Alexander; Nicassio, Maria; Niculescu, Mihai; Nielsen, Borge Svane; Niida, Takafumi; Nikolaev, Sergey; Nikolic, Vedran; Nikulin, Sergey; Nikulin, Vladimir; Nilsen, Bjorn Steven; Nilsson, Mads Stormo; Noferini, Francesco; Nomokonov, Petr; Nooren, Gerardus; Novitzky, Norbert; Nyanin, Alexandre; Nyatha, Anitha; Nygaard, Casper; Nystrand, Joakim Ingemar; Oeschler, Helmut Oskar; Oh, Saehanseul; Oh, Sun Kun; Oleniacz, Janusz; Oppedisano, Chiara; Ortona, Giacomo; Oskarsson, Anders Nils Erik; Otwinowski, Jacek Tomasz; Oyama, Ken; Pachmayer, Yvonne Chiara; Pachr, Milos; Padilla, Fatima; Pagano, Paola; Paic, Guy; Painke, Florian; Pajares, Carlos; Pal, Susanta Kumar; Palaha, Arvinder Singh; Palmeri, Armando; Papikyan, Vardanush; Pappalardo, Giuseppe; Park, Woo Jin; Passfeld, Annika; Patalakha, Dmitri Ivanovich; Paticchio, Vincenzo; Pavlinov, Alexei; Pawlak, Tomasz Jan; Peitzmann, Thomas; Pereira Da Costa, Hugo Denis Antonio; Pereira De Oliveira Filho, Elienos; Peresunko, Dmitri; Perez Lara, Carlos Eugenio; Perez Lezama, Edgar; Perini, Diego; Perrino, Davide; Peryt, Wiktor Stanislaw; Pesci, Alessandro; Peskov, Vladimir; Pestov, Yury; Petracek, Vojtech; Petran, Michal; Petris, Mariana; Petrov, Plamen Rumenov; Petrovici, Mihai; Petta, Catia; Piano, Stefano; Piccotti, Anna; Pikna, Miroslav; Pillot, Philippe; Pinazza, Ombretta; Pinsky, Lawrence; Pitz, Nora; Piuz, Francois; Piyarathna, Danthasinghe; Ploskon, Mateusz Andrzej; Pluta, Jan Marian; Pochybova, Sona; Podesta Lerma, Pedro Luis Manuel; Poghosyan, Martin; Polichtchouk, Boris; Pop, Amalia; Porteboeuf-Houssais, Sarah; Pospisil, Vladimir; Potukuchi, Baba; Prasad, Sidharth Kumar; Preghenella, Roberto; Prino, Francesco; Pruneau, Claude Andre; Pshenichnov, Igor; Puchagin, Sergey; Puddu, Giovanna; Pujahari, Prabhat Ranjan; Pulvirenti, Alberto; Punin, Valery; Putis, Marian; Putschke, Jorn Henning; Quercigh, Emanuele; Qvigstad, Henrik; Rachevski, Alexandre; Rademakers, Alphonse; Raiha, Tomi Samuli; Rak, Jan; Rakotozafindrabe, Andry Malala; Ramello, Luciano; Ramirez Reyes, Abdiel; Raniwala, Rashmi; Raniwala, Sudhir; Rasanen, Sami Sakari; Rascanu, Bogdan Theodor; Rathee, Deepika; Read, Kenneth Francis; Real, Jean-Sebastien; Redlich, Krzysztof; Rehman, Attiq Ur; Reichelt, Patrick; Reicher, Martijn; Renfordt, Rainer Arno Ernst; Reolon, Anna Rita; Reshetin, Andrey; Rettig, Felix Vincenz; Revol, Jean-Pierre; Reygers, Klaus Johannes; Riccati, Lodovico; Ricci, Renato Angelo; Richert, Tuva; Richter, Matthias Rudolph; Riedler, Petra; Riegler, Werner; Riggi, Francesco; Rodrigues Fernandes Rabacal, Bartolomeu; Rodriguez Cahuantzi, Mario; Rodriguez Manso, Alis; Roed, Ketil; Rohr, David; Rohrich, Dieter; Romita, Rosa; Ronchetti, Federico; Rosnet, Philippe; Rossegger, Stefan; Rossi, Andrea; Roy, Christelle Sophie; Roy, Pradip Kumar; Rubio Montero, Antonio Juan; Rui, Rinaldo; Russo, Riccardo; Ryabinkin, Evgeny; Rybicki, Andrzej; Sadovsky, Sergey; Safarik, Karel; Sahoo, Raghunath; Sahu, Pradip Kumar; Saini, Jogender; Sakaguchi, Hiroaki; Sakai, Shingo; Sakata, Dosatsu; Salgado, Carlos Albert; Salzwedel, Jai; Sambyal, Sanjeev Singh; Samsonov, Vladimir; Sanchez Castro, Xitzel; Sandor, Ladislav; Sandoval, Andres; Sano, Masato; Sano, Satoshi; Santo, Rainer; Santoro, Romualdo; Sarkamo, Juho Jaako; Scapparone, Eugenio; Scarlassara, Fernando; Scharenberg, Rolf Paul; Schiaua, Claudiu Cornel; Schicker, Rainer Martin; Schmidt, Christian Joachim; Schmidt, Hans Rudolf; Schreiner, Steffen; Schuchmann, Simone; Schukraft, Jurgen; Schutz, Yves Roland; Schwarz, Kilian Eberhard; Schweda, Kai Oliver; Scioli, Gilda; Scomparin, Enrico; Scott, Patrick Aaron; Scott, Rebecca; Segato, Gianfranco; Selyuzhenkov, Ilya; Senyukov, Serhiy; Seo, Jeewon; Serci, Sergio; Serradilla, Eulogio; Sevcenco, Adrian; Shabetai, Alexandre; Shabratova, Galina; Shahoyan, Ruben; Sharma, Natasha; Sharma, Satish; Shigaki, Kenta; Shimomura, Maya; Shtejer, Katherin; Sibiriak, Yury; Siciliano, Melinda; Sicking, Eva; Siddhanta, Sabyasachi; Siemiarczuk, Teodor; Silvermyr, David Olle Rickard; Silvestre, Catherine; Simatovic, Goran; Simonetti, Giuseppe; Singaraju, Rama Narayana; Singh, Ranbir; Singha, Subhash; Singhal, Vikas; Sinha, Bikash; Sinha, Tinku; Sitar, Branislav; Sitta, Mario; Skaali, Bernhard; Skjerdal, Kyrre; Smakal, Radek; Smirnov, Nikolai; Snellings, Raimond; Sogaard, Carsten; Soltz, Ron Ariel; Son, Hyungsuk; Song, Jihye; Song, Myunggeun; Soos, Csaba; Soramel, Francesca; Sputowska, Iwona; Spyropoulou-Stassinaki, Martha; Srivastava, Brijesh Kumar; Stachel, Johanna; Stan, Ionel; Stefanek, Grzegorz; Stefanini, Giorgio; Steinpreis, Matthew; Stenlund, Evert Anders; Steyn, Gideon Francois; Stiller, Johannes Hendrik; Stocco, Diego; Stolpovskiy, Mikhail; Strabykin, Kirill; Strmen, Peter; Suaide, Alexandre Alarcon do Passo; Subieta Vasquez, Martin Alfonso; Sugitate, Toru; Suire, Christophe Pierre; Sukhorukov, Mikhail; Sultanov, Rishat; Sumbera, Michal; Susa, Tatjana; Szanto de Toledo, Alejandro; Szarka, Imrich; Szczepankiewicz, Adam; Szostak, Artur Krzysztof; Szymanski, Maciej; Takahashi, Jun; Tapia Takaki, Daniel Jesus; Tarazona Martinez, Alfonso; Tauro, Arturo; Tejeda Munoz, Guillermo; Telesca, Adriana; Terrevoli, Cristina; Thader, Jochen Mathias; Thomas, Deepa; Tieulent, Raphael Noel; Timmins, Anthony; Toia, Alberica; Torii, Hisayuki; Tosello, Flavio; Trubnikov, Victor; Trzaska, Wladyslaw Henryk; Tsuji, Tomoya; Tumkin, Alexandr; Turrisi, Rosario; Tveter, Trine Spedstad; Ulery, Jason Glyndwr; Ullaland, Kjetil; Ulrich, Jochen; Uras, Antonio; Urban, Jozef; Urciuoli, Guido Marie; Usai, Gianluca; Vajzer, Michal; Vala, Martin; Valencia Palomo, Lizardo; Vallero, Sara; van der Kolk, Naomi; van Leeuwen, Marco; Vande Vyvre, Pierre; Vannucci, Luigi; Vargas, Aurora Diozcora; Varma, Raghava; Vasileiou, Maria; Vasiliev, Andrey; Vechernin, Vladimir; Veldhoen, Misha; Venaruzzo, Massimo; Vercellin, Ermanno; Vergara, Sergio; Vernet, Renaud; Verweij, Marta; Vickovic, Linda; Viesti, Giuseppe; Vikhlyantsev, Oleg; Vilakazi, Zabulon; Villalobos Baillie, Orlando; Vinogradov, Alexander; Vinogradov, Leonid; Vinogradov, Yury; Virgili, Tiziano; Viyogi, Yogendra; Vodopianov, Alexander; Voloshin, Kirill; Voloshin, Sergey; Volpe, Giacomo; von Haller, Barthelemy; Vranic, Danilo; Øvrebekk, Gaute; Vrlakova, Janka; Vulpescu, Bogdan; Vyushin, Alexey; Wagner, Boris; Wagner, Vladimir; Wan, Renzhuo; Wang, Dong; Wang, Mengliang; Wang, Yifei; Wang, Yaping; Watanabe, Kengo; Weber, Michael; Wessels, Johannes; Westerhoff, Uwe; Wiechula, Jens; Wikne, Jon; Wilde, Martin Rudolf; Wilk, Alexander; Wilk, Grzegorz Andrzej; Williams, Crispin; Windelband, Bernd Stefan; Xaplanteris Karampatsos, Leonidas; Yaldo, Chris G; Yamaguchi, Yorito; Yang, Hongyan; Yang, Shiming; Yasnopolsky, Stanislav; Yi, JunGyu; Yin, Zhongbao; Yoo, In-Kwon; Yoon, Jongik; Yu, Weilin; Yuan, Xianbao; Yushmanov, Igor; Zach, Cenek; Zampolli, Chiara; Zaporozhets, Sergey; Zarochentsev, Andrey; Zavada, Petr; Zaviyalov, Nikolai; Zbroszczyk, Hanna Paulina; Zelnicek, Pierre; Zgura, Sorin Ion; Zhalov, Mikhail; Zhang, Haitao; Zhang, Xiaoming; Zhou, Daicui; Zhou, Fengchu; Zhou, You; Zhu, Jianhui; Zhu, Xiangrong; Zichichi, Antonino; Zimmermann, Alice; Zinovjev, Gennady; Zoccarato, Yannick Denis; Zynovyev, Mykhaylo; Zyzak, Maksym

    2013-04-10

    We report the first measurement of the net-charge fluctuations in Pb-Pb collisions at $\\sqrt{s_{NN}}$ = 2.76 TeV, measured with the ALICE detector at the CERN Large Hadron Collider. The dynamical fluctuations per unit entropy are observed to decrease when going from peripheral to central collisions. An additional reduction in the amount of fluctuations is seen in comparison to the results from lower energies. We examine the dependence of fluctuations on the pseudo-rapidity interval, which may account for the dilution of fluctuations during the evolution of the system. We find that the ALICE data points are between the theoretically predicted values for a hadron gas and a Quark-Gluon Plasma.

  4. Interfacial Mechanism in Lithium-Sulfur Batteries: How Salts Mediate the Structure Evolution and Dynamics.

    Science.gov (United States)

    Lang, Shuang-Yan; Xiao, Rui-Juan; Gu, Lin; Guo, Yu-Guo; Wen, Rui; Wan, Li-Jun

    2018-06-08

    Lithium-sulfur batteries possess favorable potential for energy-storage applications due to their high specific capacity and the low cost of sulfur. Intensive understanding of the interfacial mechanism, especially the polysulfide formation and transformation under complex electrochemical environment, is crucial for the build-up of advanced batteries. Here we report the direct visualization of interfacial evolution and dynamic transformation of the sulfides mediated by the lithium salts via real-time atomic force microscopy monitoring inside a working battery. The observations indicate that the lithium salts influence the structures and processes of sulfide deposition/decomposition during discharge/charge. Moreover, the distinct ion interaction and diffusion in electrolytes manipulate the interfacial reactions determining the kinetics of the sulfide transformation. Our findings provide deep insights into surface dynamics of lithium-sulfur reactions revealing the salt-mediated mechanisms at nanoscale, which contribute to the profound understanding of the interfacial processes for the optimized design of lithium-sulfur batteries.

  5. Design of a software for calculating isoelectric point of a polypeptide according to their net charge using the graphical programming language LabVIEW.

    Science.gov (United States)

    Tovar, Glomen

    2018-01-01

    A software to calculate the net charge and to predict the isoelectric point (pI) of a polypeptide is developed in this work using the graphical programming language LabVIEW. Through this instrument the net charges of the ionizable residues of the polypeptide chains of the proteins are calculated at different pH values, tabulated, pI is predicted and an Excel (-xls) type file is generated. In this work, the experimental values of the pIs (pI) of different proteins are compared with the values of the pIs (pI) calculated graphically, achieving a correlation coefficient (R) of 0.934746 which represents a good reliability for a p program can constitute an instrument applicable in the laboratory, facilitating the calculation to graduate students and junior researchers. © 2017 by The International Union of Biochemistry and Molecular Biology, 46(1):39-46, 2018. © 2017 The International Union of Biochemistry and Molecular Biology.

  6. 47 CFR 32.7210 - Operating investment tax credits-net.

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 2 2010-10-01 2010-10-01 false Operating investment tax credits-net. 32.7210....7210 Operating investment tax credits—net. (a) This account shall be charged and Account 4320, Unamortized Operating Investment Tax Credits—Net, shall be credited with investment tax credits generated from...

  7. Interfacial area and interfacial transfer in two-phase systems. DOE final report

    Energy Technology Data Exchange (ETDEWEB)

    Ishii, Mamoru; Hibiki, T.; Revankar, S.T.; Kim, S.; Le Corre, J.M.

    2002-07-01

    In the two-fluid model, the field equations are expressed by the six conservation equations consisting of mass, momentum and energy equations for each phase. The existence of the interfacial transfer terms is one of the most important characteristics of the two-fluid model formulation. The interfacial transfer terms are strongly related to the interfacial area concentration and to the local transfer mechanisms such as the degree of turbulence near interfaces. This study focuses on the development of a closure relation for the interfacial area concentration. A brief summary of several problems of the current closure relation for the interfacial area concentration and a new concept to overcome the problem are given.

  8. Controlling the interface charge density in GaN-based metal-oxide-semiconductor heterostructures by plasma oxidation of metal layers

    International Nuclear Information System (INIS)

    Hahn, Herwig; Kalisch, Holger; Vescan, Andrei; Pécz, Béla; Kovács, András; Heuken, Michael

    2015-01-01

    In recent years, investigating and engineering the oxide-semiconductor interface in GaN-based devices has come into focus. This has been driven by a large effort to increase the gate robustness and to obtain enhancement mode transistors. Since it has been shown that deep interface states act as fixed interface charge in the typical transistor operating regime, it appears desirable to intentionally incorporate negative interface charge, and thus, to allow for a positive shift in threshold voltage of transistors to realise enhancement mode behaviour. A rather new approach to obtain such negative charge is the plasma-oxidation of thin metal layers. In this study, we present transmission electron microscopy and energy dispersive X-ray spectroscopy analysis as well as electrical data for Al-, Ti-, and Zr-based thin oxide films on a GaN-based heterostructure. It is shown that the plasma-oxidised layers have a polycrystalline morphology. An interfacial amorphous oxide layer is only detectable in the case of Zr. In addition, all films exhibit net negative charge with varying densities. The Zr layer is providing a negative interface charge density of more than 1 × 10 13  cm –2 allowing to considerably shift the threshold voltage to more positive values

  9. Efficient charge generation by relaxed charge-transfer states at organic interfaces

    KAUST Repository

    Vandewal, Koen

    2013-11-17

    Interfaces between organic electron-donating (D) and electron-accepting (A) materials have the ability to generate charge carriers on illumination. Efficient organic solar cells require a high yield for this process, combined with a minimum of energy losses. Here, we investigate the role of the lowest energy emissive interfacial charge-transfer state (CT1) in the charge generation process. We measure the quantum yield and the electric field dependence of charge generation on excitation of the charge-transfer (CT) state manifold via weakly allowed, low-energy optical transitions. For a wide range of photovoltaic devices based on polymer:fullerene, small-molecule:C60 and polymer:polymer blends, our study reveals that the internal quantum efficiency (IQE) is essentially independent of whether or not D, A or CT states with an energy higher than that of CT1 are excited. The best materials systems show an IQE higher than 90% without the need for excess electronic or vibrational energy. © 2014 Macmillan Publishers Limited.

  10. Efficient charge generation by relaxed charge-transfer states at organic interfaces

    KAUST Repository

    Vandewal, Koen; Albrecht, Steve N.; Hoke, Eric T.; Graham, Kenneth; Widmer, Johannes; Douglas, Jessica D.; Schubert, Marcel; Mateker, William R.; Bloking, Jason T.; Burkhard, George F.; Sellinger, Alan; Frechet, Jean; Amassian, Aram; Riede, Moritz Kilian; McGehee, Michael D.; Neher, Dieter; Salleo, Alberto

    2013-01-01

    Interfaces between organic electron-donating (D) and electron-accepting (A) materials have the ability to generate charge carriers on illumination. Efficient organic solar cells require a high yield for this process, combined with a minimum of energy losses. Here, we investigate the role of the lowest energy emissive interfacial charge-transfer state (CT1) in the charge generation process. We measure the quantum yield and the electric field dependence of charge generation on excitation of the charge-transfer (CT) state manifold via weakly allowed, low-energy optical transitions. For a wide range of photovoltaic devices based on polymer:fullerene, small-molecule:C60 and polymer:polymer blends, our study reveals that the internal quantum efficiency (IQE) is essentially independent of whether or not D, A or CT states with an energy higher than that of CT1 are excited. The best materials systems show an IQE higher than 90% without the need for excess electronic or vibrational energy. © 2014 Macmillan Publishers Limited.

  11. Evaluation of enthalpy of interfacial reactions from temperature dependency of interfacial equilibrium

    International Nuclear Information System (INIS)

    Kallay, Nikola; Cop, Ana

    2005-01-01

    Temperature dependency of equilibrium at metal oxide-aqueous electrolyte solution interface was analyzed by numerical simulation. Derivations of inner surface potential with respect to temperature were performed at constant values of several different parameters. When surface charge density in inner plane was kept constant the reasonable results were obtained, i.e. the electrostatic contribution to enthalpy of protonation of amphotheric surface sites was found to be positive in the pH region below the point of zero potential and negative above this point. All other examined possibilities produced opposite results. Derivation of empirical interfacial equilibrium constant at constant surface potential indicated that electrostatic effect on protonation entropy is negligible and that electrostatic contributions to reaction Gibbs energy and enthalpy are equal and directly related to the surface potential in the inner plane

  12. A solution-processed binary cathode interfacial layer facilitates electron extraction for inverted polymer solar cells.

    Science.gov (United States)

    Zhang, Xinyuan; Li, Zhiqi; Liu, Chunyu; Guo, Jiaxin; Shen, Liang; Guo, Wenbin

    2018-03-15

    The charge transfer and separation are significantly affected by the electron properties of the interface between the electron-donor layer and the carrier-transporting layer in polymer solar cells (PSCs). In this study, we investigate the electron extraction mechanism of PSCs with a low temperature solution-processed ZnO/PEI as electron transport layer. The incorporation of PEI layer can decrease the work function of ZnO and reduce interfacial barrier, which facilitates electron extraction and suppresses bimolecular recombination, leading to a significant performance enhancement. Furthermore, PEI layer can induce phase separation and passivite inorganic surface trap states as well as shift the interfacial energy offset between metal oxide and organic materials. This work offers a simple and effective way to improve the charge transporting property of organic photovoltaic devices. Copyright © 2017 Elsevier Inc. All rights reserved.

  13. Experimental determination of net protein charge, [A]tot, and Ka of nonvolatile buffers in bird plasma.

    Science.gov (United States)

    Stämpfli, Henry; Taylor, Michael; McNicoll, Carl; Gancz, Ady Y; Constable, Peter D

    2006-06-01

    The quantitative mechanistic acid-base approach to clinical assessment of acid-base status requires species-specific values for [A]tot (the total concentration of nonvolatile buffers in plasma) and Ka (the effective dissociation constant for weak acids in plasma). The aim of this study was to determine [A]tot and Ka values for plasma in domestic pigeons. Plasma from 12 healthy commercial domestic pigeons was tonometered with 20% CO2 at 37 degrees C. Plasma pH, Pco2, and plasma concentrations of strong cations (Na, K, Ca), strong anions (Cl, L-lactate), and nonvolatile buffer ions (total protein, albumin, phosphate) were measured over a pH range of 6.8-7.7. Strong ion difference (SID) (SID5=Na+K+Ca-Cl-lactate) was used to calculate [A]tot and Ka from the measured pH and Pco2 and SID5. Mean (+/-SD) values for bird plasma were as follows: [A]tot=7.76+/-2.15 mmol/l (equivalent to 0.32 mmol/g of total protein, 0.51 mmol/g of albumin, 0.23 mmol/g of total solids); Ka=2.15+/-1.15x10(-7); and pKa=6.67. The net protein charge at normal pH (7.43) was estimated to be 6 meq/l; this value indicates that pigeon plasma has a much lower anion gap value than mammals after adjusting for high mean L-lactate concentrations induced by restraint during blood sampling. This finding indicates that plasma proteins in pigeons have a much lower net anion charge than mammalian plasma protein. An incidental finding was that total protein concentration measured by a multianalyzer system was consistently lower than the value for total solids measured by refractometer.

  14. Effects of system net charge and electrostatic truncation on all-atom constant pH molecular dynamics †

    Science.gov (United States)

    Chen, Wei; Shen, Jana K.

    2014-01-01

    Constant pH molecular dynamics offers a means to rigorously study the effects of solution pH on dynamical processes. Here we address two critical questions arising from the most recent developments of the all-atom continuous constant pH molecular dynamics (CpHMD) method: 1) What is the effect of spatial electrostatic truncation on the sampling of protonation states? 2) Is the enforcement of electrical neutrality necessary for constant pH simulations? We first examined how the generalized reaction field and force shifting schemes modify the electrostatic forces on the titration coordinates. Free energy simulations of model compounds were then carried out to delineate the errors in the deprotonation free energy and salt-bridge stability due to electrostatic truncation and system net charge. Finally, CpHMD titration of a mini-protein HP36 was used to understand the manifestation of the two types of errors in the calculated pK a values. The major finding is that enforcing charge neutrality under all pH conditions and at all time via co-titrating ions significantly improves the accuracy of protonation-state sampling. We suggest that such finding is also relevant for simulations with particle-mesh Ewald, considering the known artifacts due to charge-compensating background plasma. PMID:25142416

  15. The influence of charge and the distribution of charge in the polar region of phospholipids on the activity of UDP-glucuronosyltransferase.

    Science.gov (United States)

    Zakim, D; Eibl, H

    1992-07-05

    Studies of the mechanism of lipid-induced regulation of the microsomal enzyme UDP-glucuronosyltransferase have been extended by examining the influence of charge within the polar region on the ability of lipids to activate delipidated pure enzyme. The effects of net negative charge, of charge separation in phosphocholine, and of the distribution of charge in the polar region of lipids were studied using the GT2p isoform isolated from pig liver. Prior experiments have shown that lipids with net negative charge inhibit the enzyme (Zakim, D., Cantor, M., and Eibl, H. (1988) J. Biol. Chem. 263, 5164-5169). The current experiments show that the extent of inhibition on a molar basis increases as the net negative charge increases from -1 to -2. The inhibitory effect of negatively charged lipids is on the functional state of the enzyme and is not due to electrostatic repulsion of negatively charged substrates of the enzyme. Although the inhibitory effect of net negative charge is removed when negative charge is balanced by a positive charge due to a quaternary nitrogen, neutrality of the polar region is not a sufficient condition for activation of the enzyme. In addition to a balance of charge between Pi and the quaternary nitrogen, the distance between the negative and positive charges and the orientation of the dipole created by them are critical for activation of GT2p. The negative and positive charges must be separated by the equivalent of three -CH2- groups for optimal activation by a lipid. Shortening this distance by one -CH2- unit leads to a lipid that is ineffective in activating the enzyme. Reversal of the orientation of the dipole in which the negative charge is on the polymethylene side of the lipid-water interface and the positive charge extends into water also produces a lipid that is not effective for activating GT2p. On the other hand, lipids with phosphoserine as the polar region, which has the "normal" P-N distance but carries a net negative charge, do

  16. Interfacial structures - Thermodynamical and experimental studies of the interfacial mass transfer

    International Nuclear Information System (INIS)

    Morel, Jean-Emile

    1972-01-01

    In the first section, we put forward hypotheses concerning the structure of the interfacial regions between two immiscible liquid phases. It appears that the longitudinal structure is comparable with that of a crystallized solid and that the transversal structure is nearest of that of a liquid. In the second section, we present a thermodynamical treatment of the irreversible phenomena in the interfacial region. The equation of evolution of a system consisting of two immiscible liquid phases are deduced. The third part allows an experimental verification of the theoretical relations. We also make clear, in certain cases, the appearance of a great 'interfacial resistance' which slows down the interfacial mass transfer. (author) [fr

  17. Effect of the Net Charge Distribution on the Aqueous Solution Properties of Polyampholytes Effet de la répartition de la charge nette sur les propriétés des solutions aqueuses de polyampholytes

    Directory of Open Access Journals (Sweden)

    Candau F.

    2006-12-01

    Full Text Available The zwitterion nature of ampholytic polymers provides features that are useful in environmental and industrial applications, e. g. ion-exchange membrane, as flocculants in sewage treatment and in oil recovery processes. In the latter case, the increase in viscosity which is observed in the presence of brine (anti -polyelectrolyte behavior make them ideal candidates for high salinity media. The aqueous solution properties of a series of ampholytic terpolymers based on sodium-2-acrylamido-2- rilethylpropanesulfonate (NaAMPS, Methacryloyloxyethyltrimethylammonium chloride (MADQUAT and acrylamide (AM, prepared in inverse micro emulsions have been investigated by viscometry and light scattering experiments. The distribution of the net charge among the chains was varied by adjusting the initial monomer composition and the degree of conversion. The effect of this distribution on the solubility of the samples and on the chain conformation was studied. It was found that samples with a narrow distribution of net charges were soluble in water even if the average net charge is small. Addition of salt produces a transition from an extended conformation to a more compact one in qualitative agreement with theoretical predictions. A practically alternated NaAMPS- MADQUAT copolymer prepared in homogeneous solution and with a small average net charge shows a behaviour quite similar to that of the terpolymers. La nature zwitterioniquedes polymères ampholytes présente des caractéristiques qui sont utiles dans les applications environnementales et industrielles, comme les membranes d'échange ionique, les floculants dans le traitement des eaux usées et dans les procédés de récupération de pétrole. Dans ce dernier cas, l'augmentation de viscosité qui est observée en présence de saumure (comportement antipolyélectrolyte en fait des candidats idéaux pour des milieux de salinité élevée. Les propriétés de la solution aqueuse d'une série de terpolym

  18. Recent advances in interfacial engineering of perovskite solar cells

    Science.gov (United States)

    Ye, Meidan; He, Chunfeng; Iocozzia, James; Liu, Xueqin; Cui, Xun; Meng, Xiangtong; Rager, Matthew; Hong, Xiaodan; Liu, Xiangyang; Lin, Zhiqun

    2017-09-01

    Due to recent developments, organometallic halide perovskite solar cells (PSCs) have attracted even greater interest owing to their impressive photovoltaic properties and simple device manufacturing processes with the potential for commercial applications. The power conversion efficiencies (PCEs) of PSCs have surged from 3.8% for methyl ammonium lead halide-sensitized liquid solar cells, CH3NH3PbX3 (X  =  Cl, Br, I), in 2009, to more than 22% for all-solid-state solar cells in 2016. Over the past few years, significant effort has been dedicated to realizing PSCs with even higher performance. In this review, recent advances in the interfacial engineering of PSCs are addressed. The specific strategies for the interfacial engineering of PSCs fall into two categories: (1) solvent treatment and additives to improve the light-harvesting capabilities of perovskite films, and (2) the incorporation of various functional materials at the interfaces between the active layers (e.g. electron transporting layer, perovskite layer, and hole transporting layer). This review aims to provide a comprehensive overview of strategies for the interfacial engineering of PSCs with potential benefits including enhanced light harvesting, improved charge separation and transport, improved device stability, and elimination of photocurrent hysteresis.

  19. Understanding supercapacitors based on nano-hybrid materials with interfacial conjugation

    Institute of Scientific and Technical Information of China (English)

    George Z. Chen

    2013-01-01

    The recent fast development of supercapacitors, also known scientifically as electrochemical capacitors, has benefited significantly from synthesis, characterisations and electrochemistry of nanoma-terials. Herein, the principle of supercapacitors is explained in terms of performance characteristics and charge storage mechanisms, i.e. double layer (or interfacial) capacitance and pseudo-capacitance. The semiconductor band model is applied to qualitatively account for the pseudo-capacitance in association with rectangular cyclic voltammograms (CVs) and linear galvanostatic charging and discharging plots (GCDs), aiming to differentiate supercapacitors from rechargeable batteries. The invalidity of using peak shaped CVs and non-linear GCDs for capacitance measurement is highlighted. A selective review is given to the nano-hybrid materials between carbon nanotubes and redox active materials such as electronically conducting polymers and transition metal oxides. A new concept,“interfacial conjugation”, is introduced to reflect the capacitance enhancement resulting from π-π stacking interactions at the interface between two materials with highly conjugated chemical bonds. The prospects of carbon nanotubes and graphenes for supercapacitor applications are briefly compared and discussed. Hopefully, this article can help readers to understand supercapacitors and nano-hybrid materials so that further developments in materials design and synthesis, and device engineering can be more efficient and objective.

  20. Layer-dependent surface potential of phosphorene and anisotropic/layer-dependent charge transfer in phosphorene-gold hybrid systems.

    Science.gov (United States)

    Xu, Renjing; Yang, Jiong; Zhu, Yi; Yan, Han; Pei, Jiajie; Myint, Ye Win; Zhang, Shuang; Lu, Yuerui

    2016-01-07

    The surface potential and the efficiency of interfacial charge transfer are extremely important for designing future semiconductor devices based on the emerging two-dimensional (2D) phosphorene. Here, we directly measured the strong layer-dependent surface potential of mono- and few-layered phosphorene on gold, which is consistent with the reported theoretical prediction. At the same time, we used an optical way photoluminescence (PL) spectroscopy to probe charge transfer in the phosphorene-gold hybrid system. We firstly observed highly anisotropic and layer-dependent PL quenching in the phosphorene-gold hybrid system, which is attributed to the highly anisotropic/layer-dependent interfacial charge transfer.

  1. Interfacial effects in multilayers

    International Nuclear Information System (INIS)

    Barbee, T.W. Jr.

    1998-01-01

    Interfacial structure and the atomic interactions between atoms at interfaces in multilayers or nano-laminates have significant impact on the physical properties of these materials. A technique for the experimental evaluation of interfacial structure and interfacial structure effects is presented and compared to experiment. In this paper the impact of interfacial structure on the performance of x-ray, soft x-ray and extreme ultra-violet multilayer optic structures is emphasized. The paper is concluded with summary of these results and an assessment of their implications relative to multilayer development and the study of buried interfaces in solids in general

  2. Electrochemically modulated liquid chromatography: Theoretical investigations and applications from the perspectives of chromatography and interfacial electrochemistry

    Energy Technology Data Exchange (ETDEWEB)

    Keller, David W. [Iowa State Univ., Ames, IA (United States)

    2005-01-01

    Electrochemically modulated liquid chromatography (EMLC) employs a conductive material as both a stationary phase for chromatographic separations and as a working electrode for performing electrochemistry experiments. This dual functionality gives EMLC the capacity to manipulate chromatographic separations by changing the potential applied (Eapp) to the stationary phase with respect to an external reference. The ability to monitor retention as a function of Eapp provides a means to chromatographically monitor electrosorption processes at solid-liquid interfaces. In this dissertation, the retention mechanism for EMLC is examined from the perspective of electrical double layer theory and interfacial thermodynamics. From the chromatographic data, it is possible to determine the interfacial excess (Λ) of a solute and changes in interfacial tension (dγ) as a function of both Eapp and the supporting electrolyte concentration. Taken together, these two experimentally manipulated parameters can be examined within the context of the Gibbs adsorption equation to delineate the contribution of a variety of interfacial properties, including the charge of solute on the stationary phase and the potential of zero charge (PZC), to the mechanism behind EMLC-based retention. The chromatographic probing of interfacial phenomena is complemented by electroanalytical experiments that exploit the ability to monitor the electronic current flowing through an EMLC column. Cyclic voltammetry and chronoamperometry of an EMLC column are used to determine the electronic performance characteristics of an EMLC column. An electrochemical flow injection analysis of a column is provided in which the current required to maintain a constant Eapp is monitored and provides a way to examine the influence that acetonitrile and supporting electrolyte composition, flow rate, column backpressure, and ionic strength have on the structure of electrified interfaces.

  3. Influence of annealing and interfacial roughness on the performance of bilayer donor/acceptor polymer photovoltaic devices

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Hongping; Swaraj, Sufal; Wang, Cheng; Ade, Harald [Department of Physics, North Carolina State University, Raleigh, NC 27695 (United States); Hwang, Inchan; Greenham, Neil C.; McNeill, Christopher R. [Cavendish Laboratory, Department of Physics, University of Cambridge, J J Thomson Ave, Cambridge, CB3 0HE (United Kingdom); Groves, Chris [School of Engineering and Computing Sciences, Durham University, Durham, DH1 3LE (United Kingdom)

    2010-12-21

    Through controlled annealing of planar heterojunction (bilayer) devices based on the polyfluorene copolymers poly(9,9-dioctylfluorene-co-bis(N,N'-(4,butylphenyl))bis(N,N'-phenyl-1,4-phenylene)diamine) (PFB) and poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) we study the influence of interface roughness on the generation and separation of electron-hole pairs at the donor/acceptor interface. Interface structure is independently characterized by resonant soft X-ray reflectivity with the interfacial width of the PFB/F8BT heterojunction observed to systematically increase with annealing temperature from 1.6 nm for unannealed films to 16 nm with annealing at 200 C for ten minutes. Photoluminescence quenching measurements confirm the increase in interface area by the three-fold increase in the number of excitons dissociated. Under short-circuit conditions, however, unannealed devices with the sharpest interface are found to give the best device performance, despite the increase in interfacial area (and hence the number of excitons dissociated) in annealed devices. The decrease in device efficiency with annealing is attributed to decreased interfacial charge separation efficiency, partly due to a decrease in the bulk mobility of the constituent materials upon annealing but also (and significantly) due to the increased interface roughness. We present results of Monte Carlo simulations that demonstrate that increased interface roughness leads to lower charge separation efficiency, and are able to reproduce the experimental current-voltage curves taking both increased interfacial roughness and decreased carrier mobility into account. Our results show that organic photovoltaic performance can be sensitive to interfacial order, and heterojunction sharpness should be considered a requirement for high performance devices. (Copyright copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  4. Crystalline Molybdenum Oxide Thin-Films for Application as Interfacial Layers in Optoelectronic Devices

    DEFF Research Database (Denmark)

    Fernandes Cauduro, André Luis; dos Reis, Roberto; Chen, Gong

    2017-01-01

    The ability to control the interfacial properties in metal-oxide thin films through surface defect engineering is vital to fine-tune their optoelectronic properties and thus their integration in novel optoelectronic devices. This is exemplified in photovoltaic devices based on organic, inorganic...... or hybrid technologies, where precise control of the charge transport properties through the interfacial layer is highly important for improving device performance. In this work, we study the effects of in situ annealing in nearly stoichiometric MoOx (x ∼ 3.0) thin-films deposited by reactive sputtering. We...... with structural characterizations, this work addresses a novel method for tuning, and correlating, the optoelectronic properties and microstructure of device-relevant MoOx layers....

  5. Integer Charge Transfer and Hybridization at an Organic Semiconductor/Conductive Oxide Interface

    KAUST Repository

    Gruenewald, Marco

    2015-02-11

    We investigate the prototypical hybrid interface formed between PTCDA and conductive n-doped ZnO films by means of complementary optical and electronic spectroscopic techniques. We demonstrate that shallow donors in the vicinity of the ZnO surface cause an integer charge transfer to PTCDA, which is clearly restricted to the first monolayer. By means of DFT calculations, we show that the experimental signatures of the anionic PTCDA species can be understood in terms of strong hybridization with localized states (the shallow donors) in the substrate and charge back-donation, resulting in an effectively integer charge transfer across the interface. Charge transfer is thus not merely a question of locating the Fermi level above the PTCDA electron-transport level but requires rather an atomistic understanding of the interfacial interactions. The study reveals that defect sites and dopants can have a significant influence on the specifics of interfacial coupling and thus on carrier injection or extraction.

  6. The  Practitioner's guide to Coloured Petri Nets

    DEFF Research Database (Denmark)

    Kristensen, Lars Michael; Christensen, Søren; Jensen, Kurt

    1998-01-01

    four hundred commercial companies. It is available free of charge, also for commercial use. This paper provides a comprehensive road map to the practical use of CP-nets and the Design/CPN tool. We give an informal introduction to the basic concepts and ideas underliying CP-nets. The key components...... and facilities of the Design/CPN tool are presented and their use illustrated. The paper is self-contained and does not assume any prior kowledge of Petri nets and CP-nets nor any experience with the Design/CPN tool...

  7. Monte Carlo studies on the interfacial properties and interfacial structures of ternary symmetric blends with gradient copolymers.

    Science.gov (United States)

    Sun, Dachuan; Guo, Hongxia

    2012-08-09

    Using Monte Carlo simulation methods, the effects of the comonomer sequence distribution on the interfacial properties (including interfacial tension, interfacial thickness, saturated interfacial area per copolymer, and bending modulus) and interfacial structures (including chain conformations and comonomer distributions of the simulated copolymers at the interfaces) of a ternary symmetric blend containing two immiscible homopolymers and one gradient copolymer are investigated. We find that copolymers with a larger composition gradient width have a broader comonomer distribution along the interface normal, and hence more pronouncedly enlarge the interfacial thickness and reduce the interfacial tension. Furthermore, the counteraction effect, which arises from the tendency of heterogeneous segments in gradient copolymers to phase separate and enter their miscible phases to reduce the local enthalpy, decreases the stretching of copolymers along the interface normal direction. As a result, copolymers with a larger width of gradient composition can occupy a larger interfacial area and form softer monolayers at saturation and are more efficient in facilitating the formation of bicontinuous microemulsions. Additionally, chain length ratio, segregation strength, and interactions between homopolymers and copolymers can alter the interfacial character of gradient copolymers. There exists a strong coupling between the comonomer sequence distribution, chain conformation, and interfacial properties. Especially, bending modulus is mainly determined by the complicated interplay of interfacial copolymer density and interfacial chain conformation.

  8. Dynamic modeling of interfacial structures via interfacial area transport equation

    International Nuclear Information System (INIS)

    Seungjin, Kim; Mamoru, Ishii

    2004-01-01

    Full text of publication follows:In the current thermal-hydraulic system analysis codes using the two-fluid model, the empirical correlations that are based on the two-phase flow regimes and regime transition criteria are being employed as closure relations for the interfacial transfer terms. Due to its inherent shortcomings, however, such static correlations are inaccurate and present serious problems in the numerical analysis. In view of this, a new dynamic approach employing the interfacial area transport equation has been studied. The interfacial area transport equation dynamically models the two-phase flow regime transitions and predicts continuous change of the interfacial area concentration along the flow field. Hence, when employed in the thermal-hydraulic system analysis codes, it eliminates artificial bifurcations stemming from the use of the static flow regime transition criteria. Therefore, the interfacial area transport equation can make a leapfrog improvement in the current capability of the two-fluid model from both scientific and practical point of view. Accounting for the substantial differences in the transport phenomena of various sizes of bubbles, the two-group interfacial area transport equations have been developed. The group 1 equation describes the transport of small-dispersed bubbles that are either distorted or spherical in shapes, and the group 2 equation describes the transport of large cap, slug or churn-turbulent bubbles. The source and sink terms in the right hand-side of the transport equations have been established by mechanistically modeling the creation and destruction of bubbles due to major bubble interaction mechanisms. The coalescence mechanisms include the random collision driven by turbulence, and the entrainment of trailing bubbles in the wake region of the preceding bubble. The disintegration mechanisms include the break-up by turbulence impact, shearing-off at the rim of large cap bubbles and the break-up of large cap

  9. Interfacial exchange coupling and magnetization reversal in perpendicular [Co/Ni]N/TbCo composite structures.

    Science.gov (United States)

    Tang, M H; Zhang, Zongzhi; Tian, S Y; Wang, J; Ma, B; Jin, Q Y

    2015-06-15

    Interfacial exchange coupling and magnetization reversal characteristics in the perpendicular heterostructures consisting of an amorphous ferrimagnetic (FI) TbxCo(100-x) alloy layer exchange-coupled with a ferromagnetic (FM) [Co/Ni]N multilayer have been investigated. As compared with pure TbxCo(100-x) alloy, the magnetization compensation composition of the heterostructures shift to a higher Tb content, implying Co/Ni also serves to compensate the Tb moment in TbCo layer. The net magnetization switching field Hc⊥ and interlayer interfacial coupling field Hex, are not only sensitive to the magnetization and thickness of the switched TbxCo(100-x) or [Co/Ni]N layer, but also to the perpendicular magnetic anisotropy strength of the pinning layer. By tuning the layer structure we achieve simultaneously both large Hc⊥ = 1.31 T and Hex = 2.19 T. These results, in addition to the fundamental interest, are important to understanding of the interfacial coupling interaction in the FM/FI heterostructures, which could offer the guiding of potential applications in heat-assisted magnetic recording or all-optical switching recording technique.

  10. Experimental determination of net protein charge and A(tot) and K(a) of nonvolatile buffers in canine plasma.

    Science.gov (United States)

    Constable, Peter D; Stämpfli, Henry R

    2005-01-01

    Acid-base abnormalities frequently are present in sick dogs. The mechanism for an acid-base disturbance can be determined with the simplified strong ion approach, which requires accurate values for the total concentration of plasma nonvolatile buffers (A(tot)) and the effective dissociation constant for plasma weak acids (K(a)). The aims of this study were to experimentally determine A(tot) and K(a) values for canine plasma. Plasma was harvested from 10 healthy dogs; the concentrations of quantitatively important strong ions (Na+, K+, Ca2+, Mg2+, Cl-, L-lactate) and nonvolatile buffer ions (total protein, albumin, phosphate) were determined; and the plasma was tonometered with CO2 at 37 degrees C. Strong ion difference (SID) was calculated from the measured strong ion concentrations, and nonlinear regression was used to estimate values for A(tot) and K(a), which were validated with data from an in vitro and in vivo study. Mean (+/- SD) values for canine plasma were A(tot) = (17.4 +/- 8.6) mM (equivalent to 0.273 mmol/g of total protein or 0.469 mmol/g of albumin); K(a) = (0.17 +/- 0.11) x 10(-7); pK(a) = 7.77. The calculated SID for normal canine plasma (pH = 7.40; P(CO2) = 37 mm Hg; [total protein] = 64 g/L) was 27 mEq/L. The net protein charge for normal canine plasma was 0.25 mEq/g of total protein or 0.42 mEq/g of albumin. Application of the experimentally determined values for A(tot), K(a), and net protein charge should improve understanding of the mechanism for complex acid-base disturbances in dogs.

  11. Experimental determination of net protein charge and A(tot) and K(a) of nonvolatile buffers in human plasma.

    Science.gov (United States)

    Staempfli, Henry R; Constable, Peter D

    2003-08-01

    The mechanism for an acid-base disturbance can be determined by using the strong ion approach, which requires species-specific values for the total concentration of plasma nonvolatile buffers (Atot) and the effective dissociation constant for plasma weak acids (Ka). The aim of this study was to experimentally determine Atot and Ka values for human plasma by using in vitro CO2 tonometry. Plasma Pco2 was systematically varied from 25 to 145 Torr at 37 degrees C, thereby altering plasma pH over the physiological range of 6.90-7.55, and plasma pH, Pco2, and concentrations of quantitatively important strong ions (Na+, K+, Ca2+, Mg2+, Cl-, lactate) and buffer ions (total protein, albumin, phosphate) were measured. Strong ion difference was estimated, and nonlinear regression was used to calculate Atot and Ka from the measured pH and Pco2 and estimated strong ion difference; the Atot and Ka values were then validated by using a published data set (Figge J, Rossing TH, and Fencl V, J Lab Clin Med 117: 453-467, 1991). The values (mean +/- SD) were as follows: Atot = 17.2 +/- 3.5 mmol/l (equivalent to 0.224 mmol/g of protein or 0.378 mmol/g of albumin); Ka = 0.80 +/- 0.60 x 10-7; negative log of Ka = 7.10. Mean estimates were obtained for strong ion difference (37 meq/l) and net protein charge (13+.0 meq/l). The experimentally determined values for Atot, Ka, and net protein charge should facilitate the diagnosis and treatment of acid-base disturbances in critically ill humans.

  12. Conserved charge fluctuations at vanishing and non-vanishing chemical potential

    Science.gov (United States)

    Karsch, Frithjof

    2017-11-01

    Up to 6th order cumulants of fluctuations of net baryon-number, net electric charge and net strangeness as well as correlations among these conserved charge fluctuations are now being calculated in lattice QCD. These cumulants provide a wealth of information on the properties of strong-interaction matter in the transition region from the low temperature hadronic phase to the quark-gluon plasma phase. They can be used to quantify deviations from hadron resonance gas (HRG) model calculations which frequently are used to determine thermal conditions realized in heavy ion collision experiments. Already some second order cumulants like the correlations between net baryon-number and net strangeness or net electric charge differ significantly at temperatures above 155 MeV in QCD and HRG model calculations. We show that these differences increase at non-zero baryon chemical potential constraining the applicability range of HRG model calculations to even smaller values of the temperature.

  13. Coupling of narrow and wide band-gap semiconductors on uniform films active in bacterial disinfection under low intensity visible light: Implications of the interfacial charge transfer (IFCT)

    International Nuclear Information System (INIS)

    Rtimi, S.; Sanjines, R.; Pulgarin, C.; Houas, A.; Lavanchy, J.-C.; Kiwi, J.

    2013-01-01

    Highlights: • Design, preparation, testing and characterization of uniform sputtered films. • Interfacial charge transfer from the Ag 2 O (cb) to the lower laying Ta 2 O 5 (cb). • The optical absorption of TaON and TaON/Ag was proportional to E. coli inactivation. • Self-cleaning of the TaON/Ag polyester enables repetitive E. coli inactivation. -- Abstract: This study reports the design, preparation, testing and surface characterization of uniform films deposited by sputtering Ag and Ta on non-heat resistant polyester to evaluate the Escherichia coli inactivation by TaON, TaN/Ag, Ag and TaON/Ag polyester. Co-sputtering for 120 s Ta and Ag in the presence of N 2 and O 2 led to the faster E. coli inactivation by a TaON/Ag sample within ∼40 min under visible light irradiation. The deconvolution of TaON/Ag peaks obtained by X-ray photoelectron spectroscopy (XPS) allowed the assignment of the Ta 2 O 5 and Ag-species. The shifts observed for the XPS peaks have been assigned to AgO to Ag 2 O and Ag 0 , and are a function of the applied sputtering times. The mechanism of interfacial charge transfer (IFCT) from the Ag 2 O conduction band (cb) to the lower laying Ta 2 O 5 (cb) is discussed suggesting a reaction mechanism. The optical absorption of the TaON and TaON/Ag samples found by diffuse reflectance spectroscopy (DRS) correlated well with the kinetics of E. coli inactivation. The TaON/Ag sample microstructure was characterized by contact angle (CA) and by atomic force microscopy (AFM). Self-cleaning of the TaON/Ag polyester after each disinfection cycle enabled repetitive E. coli inactivation

  14. Coupling of narrow and wide band-gap semiconductors on uniform films active in bacterial disinfection under low intensity visible light: Implications of the interfacial charge transfer (IFCT)

    Energy Technology Data Exchange (ETDEWEB)

    Rtimi, S., E-mail: sami.rtimi@epfl.ch [Ecole Polytechnique Fédérale de Lausanne, EPFL-SB-ISIC-GPAO, Station 6, CH-1015 Lausanne (Switzerland); UR Catalyse/Matériaux pour l‘Environnement et les Procédés (URCMEP), Faculté des Sciences de Gabès, Université de Gabès, 6072 Gabès (Tunisia); Sanjines, R. [Ecole Polytechnique Fédérale de Lausanne, EPFL-SB-IPMC-LNNME, Bat PH, Station 3, CH1015 Lausanne (Switzerland); Pulgarin, C., E-mail: cesar.pulgarin@epfl.ch [Ecole Polytechnique Fédérale de Lausanne, EPFL-SB-ISIC-GPAO, Station 6, CH-1015 Lausanne (Switzerland); Houas, A. [UR Catalyse/Matériaux pour l‘Environnement et les Procédés (URCMEP), Faculté des Sciences de Gabès, Université de Gabès, 6072 Gabès (Tunisia); Lavanchy, J.-C. [Université de Lausanne, IMG, Centre d’Analyse Minérale, Bat Anthropole, CH-1015 Lausanne (Switzerland); Kiwi, J. [Ecole Polytechnique Fédérale de Lausanne, EPFL-SB-ISIC-LPI, Bat Chimie, Station 6, CH1015 Lausanne (Switzerland)

    2013-09-15

    Highlights: • Design, preparation, testing and characterization of uniform sputtered films. • Interfacial charge transfer from the Ag{sub 2}O (cb) to the lower laying Ta{sub 2}O{sub 5} (cb). • The optical absorption of TaON and TaON/Ag was proportional to E. coli inactivation. • Self-cleaning of the TaON/Ag polyester enables repetitive E. coli inactivation. -- Abstract: This study reports the design, preparation, testing and surface characterization of uniform films deposited by sputtering Ag and Ta on non-heat resistant polyester to evaluate the Escherichia coli inactivation by TaON, TaN/Ag, Ag and TaON/Ag polyester. Co-sputtering for 120 s Ta and Ag in the presence of N{sub 2} and O{sub 2} led to the faster E. coli inactivation by a TaON/Ag sample within ∼40 min under visible light irradiation. The deconvolution of TaON/Ag peaks obtained by X-ray photoelectron spectroscopy (XPS) allowed the assignment of the Ta{sub 2}O{sub 5} and Ag-species. The shifts observed for the XPS peaks have been assigned to AgO to Ag{sub 2}O and Ag{sup 0}, and are a function of the applied sputtering times. The mechanism of interfacial charge transfer (IFCT) from the Ag{sub 2}O conduction band (cb) to the lower laying Ta{sub 2}O{sub 5} (cb) is discussed suggesting a reaction mechanism. The optical absorption of the TaON and TaON/Ag samples found by diffuse reflectance spectroscopy (DRS) correlated well with the kinetics of E. coli inactivation. The TaON/Ag sample microstructure was characterized by contact angle (CA) and by atomic force microscopy (AFM). Self-cleaning of the TaON/Ag polyester after each disinfection cycle enabled repetitive E. coli inactivation.

  15. Assessment of the Electrification of the Road Transport Sector on Net System Emissions

    Science.gov (United States)

    Miller, James

    As worldwide environmental consciousness grows, electric vehicles (EVs) are becoming more common and despite the incredible potential for emissions reduction, the net emissions of the power system supply side plus the transportation system are dependent on the generation matrix. Current EV charging patterns tend to correspond directly with the peak consumption hours and have the potential to increase demand sharply allowing for only a small penetration of Electric Vehicles. Using the National Household Travel Survey (NHTS) data a model is created for vehicle travel patterns using trip chaining. Charging schemes are modeled to include uncontrolled residential, uncontrolled residential/industrial charging, optimized charging and optimized charging with vehicle to grid discharging. A charging profile is then determined based upon the assumption that electric vehicles would directly replace a percentage of standard petroleum-fueled vehicles in a known system. Using the generation profile for the specified region, a unit commitment model is created to establish not only the generation dispatch, but also the net CO2 profile for variable EV penetrations and charging profiles. This model is then used to assess the impact of the electrification of the road transport sector on the system net emissions.

  16. On the physics of both surface overcharging and charge reversal at heterophase interfaces.

    Science.gov (United States)

    Wang, Zhi-Yong; Zhang, Pengli; Ma, Zengwei

    2018-02-07

    The conventional paradigm for characterizing surface overcharging and charge reversal is based on the so-called Stern layer, in which surface dissociation reaction and specific chemical adsorption are assumed to take place. In this article, a series of Monte Carlo simulations have been applied to obtain useful insights into the underlying physics responsible for these two kinds of anomalous phenomena at the interface of two dielectrics, with special emphasis on the case of divalent counterions that are more relevant in natural and biological environments. At a weakly charged surface, it is found that independent of the type of surface charge distribution and the dielectric response of the solution, the overcharging event is universally driven by the ion size-asymmetric effect. Exceptionally, the overcharging still persists when the surface is highly charged but is only restricted to the case of discrete surface charge in a relatively low dielectric medium. As compared to the adsorption onto the homogeneously smeared charge surface that has the same average affinity for counterions, on the other hand, charge reversal under the action of a dielectric response can be substantially enhanced in the discrete surface charge representation due to strong association of counterions with interfacial groups, and the degree of enhancement depends in a nontrivial way on the reduction of the medium dielectric constant and the steric effects of finite ion size. Rather interestingly, the charge reversal is of high relevance to the overcharging of interfaces because the overwhelming interfacial association forces the coions closer to the surface due to their smaller size than the counterions. Upon the addition of a monovalent salt to the solution, the interfacial association with divalent counterions makes surface overcharging and charge reversal widely unaffected, in contrast to the prevailing notion that screening of surface charge of a homogeneous nature is determined by the

  17. Titanium carbide nanocube core induced interfacial growth of crystalline polypyrrole/polyvinyl alcohol lamellar shell for wide-temperature range supercapacitors

    Science.gov (United States)

    Weng, Yu-Ting; Pan, Hsiao-An; Wu, Nae-Lih; Chen, Geroge Zheng

    2015-01-01

    This is the first investigation on electrically conducting polymers-based supercapacitor electrodes over a wide temperature range, from -18 °C to 60 °C. A high-performance supercapacitor electrode material consisting of TiC nanocube core and conformal crystalline polypyrrole (PPy)/poly-vinyl-alcohol (PVA) lamellar shell has been synthesized by heterogeneous nucleation-induced interfacial crystallization. PPy is induced to crystallize on the negatively charged TiC nanocube surfaces via strong interfacial interactions. In this organic-inorganic hybrid nanocomposite, the long chain PVA enables enhanced cycle life due to improved mechanical properties, and the TiC nanocube not only contributes to electron conduction, but also dictates the PPy morphology/crystallinity for maximizing the charging-discharging performance. The crystalline PPy/PAV layer on the TiC nanocube offers unprecedented high capacity (>350 F g-1-PPy at 300 mV s-1 with ΔV = 1.6 V) and cycling stability in a temperature range from -18 °C to 60 °C. The presented hybrid-filler and interfacial crystallization strategies can be applied to the exploration of new-generation high-power conducting polymer-based supercapacitor materials.

  18. Effects of Discrete Charge Clustering in Simulations of Charged Interfaces.

    Science.gov (United States)

    Grime, John M A; Khan, Malek O

    2010-10-12

    A system of counterions between charged surfaces is investigated, with the surfaces represented by uniform charged planes and three different arrangements of discrete surface charges - an equispaced grid and two different clustered arrangements. The behaviors of a series of systems with identical net surface charge density are examined, with particular emphasis placed on the long ranged corrections via the method of "charged slabs" and the effects of the simulation cell size. Marked differences are observed in counterion distributions and the osmotic pressure dependent on the particular representation of the charged surfaces; the uniformly charged surfaces and equispaced grids of discrete charge behave in a broadly similar manner, but the clustered systems display a pronounced decrease in osmotic pressure as the simulation size is increased. The influence of the long ranged correction is shown to be minimal for all but the very smallest of system sizes.

  19. Interfacial behavior of perchlorate versus chloride ions in saturated aqueous salt solutions

    Energy Technology Data Exchange (ETDEWEB)

    Ghosal, S; Kuo, I W; Baer, M D; Bluhm, H

    2009-04-14

    In recent years combination of theoretical and experimental work have presented a novel view of the aqueous interface wherein hard and/or multiply charged ions are excluded from the interface, but large polarizable anions show interfacial enhancement relative to the bulk. The observed trend in the propensity of anions to adsorb at the air/water interface appears to be reverse of the Hofmeister series for anions. This study focuses on experimental and theoretical examination of the partitioning behavior of perchlorate (ClO{sub 4}{sup -}) and chloride (Cl{sup -}) ions at the air/water interface. We have used ambient pressure X-ray photoelectron spectroscopy technique to directly probe the interfacial concentrations of ClO{sub 4}{sup -} and Cl{sup -} ions in sodium perchlorate and sodium chloride solutions, respectively. Experimental observations are compared with first principles molecular dynamics simulations. Both experimental and simulation results show enhancement of ClO{sub 4}{sup -} ion at the interface, compared with the absence of such enhancement in the case of Cl{sup -} ion. These observations are in agreement with the expected trend in the interfacial propensity of anions based on the Hofmeister series.

  20. Magnetically charged calorons with non-trivial holonomy

    Science.gov (United States)

    Kato, Takumi; Nakamula, Atsushi; Takesue, Koki

    2018-06-01

    Instantons in pure Yang-Mills theories on partially periodic space R^3× {S}^1 are usually called calorons. The background periodicity brings on characteristic features of calorons such as non-trivial holonomy, which plays an essential role for confinement/deconfinement transition in pure Yang-Mills gauge theory. For the case of gauge group SU(2), calorons can be interpreted as composite objects of two constituent "monopoles" with opposite magnetic charges. There are often the cases that the two monopole charges are unbalanced so that the calorons possess net magnetic charge in R3. In this paper, we consider several mechanism how such net magnetic charges appear for certain types of calorons through the ADHM/Nahm construction with explicit examples. In particular, we construct analytically the gauge configuration of the (2 , 1)-caloron with U(1)-symmetry, which has intrinsically magnetic charge.

  1. Photoemission spectroscopy study on interfacial energy level alignments in tandem organic light-emitting diodes

    Energy Technology Data Exchange (ETDEWEB)

    Ou, Qing-Dong; Li, Chi; Li, Yan-Qing, E-mail: yqli@suda.edu.cn; Tang, Jian-Xin, E-mail: jxtang@suda.edu.cn

    2015-10-01

    Highlights: • The interface energetics of tandem OLEDs is overviewed. • Energy level alignment in CGLs is addressed via photoemission spectroscopy. • The n-type doping effect with cesium compounds is discussed. • Hole injection barrier is dependent on oxygen vacancies in transition metal oxides. • Device lifetime of tandem OLEDs is sensitive to interfacial stability of CGLs. - Abstract: Organic light-emitting diodes (OLEDs) using a tandem structure offer a highly attractive option for the applications of next-generation flat panel displays and solid-state lighting due to the extremely high brightness and efficiency along with the long operational lifetime. In general, reliable information about interface energetics of the charge generation layers (CGLs), which plays the central role in charge generation and carrier injection into the stacked emission units, is highly desirable and advantageous for interface engineering and the performance optimization of tandem OLEDs. In this review, our recent studies on tandem OLEDs are overviewed, especially from interface energetics perspective via photoemission spectroscopy. The electronic structures of various transition metal oxide (TMO)-based CGLs and their role in charge generation process are reviewed, addressing the n-type doping impact of organic layers in CGLs, thermal annealing-induced oxygen vacancy in TMOs, and the interfacial stability of CGLs on the device operational lifetime. The resulting energy level alignments are summarized in correspondence with tandem OLED performance.

  2. Selective effects of charge on G protein activation by FSH-receptor residues 551-555 and 650-653.

    Science.gov (United States)

    Grasso, P; Deziel, M R; Reichert, L E

    1995-01-01

    Two cytosolic regions of the rat testicular FSH receptor (FSHR), residues 533-555 and 645-653, have been identified as G protein-coupling domains. We localized the activity in these domains to their C-terminal sequences, residues 551-555 (KIAKR, net charge +3) and 650-653 (RKSH, net charge +3), and examined the effects of charge on G protein activation by the C-terminal peptides, using synthetic analogs containing additions, through alanine (A) linkages, of arginine (R, +), histidine (H, +) or both. RA-KIAKR (net charge +4) mimicked the effect of FSHR-(551-555) on guanine nucleotide exchange in rat testis membranes, but reduced its ability to inhibit FSH-stimulated estradiol biosynthesis in cultured rat Sertoli cells. Further increasing net charge by the addition of H (HARA-KIAKR, net charge +5) increased guanosine 5'-triphosphate (GTP) binding, but eliminated FSHR-(551-555) effects on FSH-stimulated steroidogenesis. HA-RKSH (net charge +4) significantly inhibited guanine nucleotide exchange in rat testis membranes, but stimulated basal and potentiated FSH-induced estradiol biosynthesis in cultured rat Sertoli cells. Addition of two H residues (HAHA-RKSH, net charge +5) restored GTP binding and further potentiated basal and FSH-stimulated steroidogenesis. These results suggest that positive charges in G protein-coupling domains of the FSHR play a role in modulating G protein activation and postbinding effects of FSH, such as steroidogenesis.

  3. Dynamical charge fluctuation at FAIR energy

    International Nuclear Information System (INIS)

    Ghosh, Somnath; Mukhopadhyay, Amitabha

    2015-01-01

    The Compressed Baryonic Matter (CBM) experiment to be held at the Facility for antiproton and ion research (FAIR) is being designed to investigate the baryonic matter under extreme thermodynamic conditions. The hot and dense matter produced in this experiment will be rich in baryon number. It would be worthwhile to examine how the signatures proposed for identifying and characterizing a baryon free QGP like state behave in a baryon rich environment. Event-by-event fluctuation of net electrical charge and/or baryon number is one such indicator of the formation of the QGP, used and tested in RHIC and LHC heavy-ion experiments. One starts by defining the net charge Q = (N + - N - ) and the total charge N ch = (N + + N - ) where the quantities N + and N - are respectively, the multiplicities of positively and negatively charged particles

  4. Charge Fluctuations in Nanoscale Capacitors

    Science.gov (United States)

    Limmer, David T.; Merlet, Céline; Salanne, Mathieu; Chandler, David; Madden, Paul A.; van Roij, René; Rotenberg, Benjamin

    2013-09-01

    The fluctuations of the charge on an electrode contain information on the microscopic correlations within the adjacent fluid and their effect on the electronic properties of the interface. We investigate these fluctuations using molecular dynamics simulations in a constant-potential ensemble with histogram reweighting techniques. This approach offers, in particular, an efficient, accurate, and physically insightful route to the differential capacitance that is broadly applicable. We demonstrate these methods with three different capacitors: pure water between platinum electrodes and a pure as well as a solvent-based organic electrolyte each between graphite electrodes. The total charge distributions with the pure solvent and solvent-based electrolytes are remarkably Gaussian, while in the pure ionic liquid the total charge distribution displays distinct non-Gaussian features, suggesting significant potential-driven changes in the organization of the interfacial fluid.

  5. Charge fluctuations in nanoscale capacitors.

    Science.gov (United States)

    Limmer, David T; Merlet, Céline; Salanne, Mathieu; Chandler, David; Madden, Paul A; van Roij, René; Rotenberg, Benjamin

    2013-09-06

    The fluctuations of the charge on an electrode contain information on the microscopic correlations within the adjacent fluid and their effect on the electronic properties of the interface. We investigate these fluctuations using molecular dynamics simulations in a constant-potential ensemble with histogram reweighting techniques. This approach offers, in particular, an efficient, accurate, and physically insightful route to the differential capacitance that is broadly applicable. We demonstrate these methods with three different capacitors: pure water between platinum electrodes and a pure as well as a solvent-based organic electrolyte each between graphite electrodes. The total charge distributions with the pure solvent and solvent-based electrolytes are remarkably Gaussian, while in the pure ionic liquid the total charge distribution displays distinct non-Gaussian features, suggesting significant potential-driven changes in the organization of the interfacial fluid.

  6. Correction: Towards the rationalization of catalytic activity values by means of local hyper-softness on the catalytic site: a criticism about the use of net electric charges.

    Science.gov (United States)

    Martínez-Araya, Jorge Ignacio; Grand, André; Glossman-Mitnik, Daniel

    2016-01-28

    Correction for 'Towards the rationalization of catalytic activity values by means of local hyper-softness on the catalytic site: a criticism about the use of net electric charges' by Jorge Ignacio Martínez-Araya et al., Phys. Chem. Chem. Phys., 2015, DOI: 10.1039/c5cp03822g.

  7. Dynamic modeling of interfacial structures via interfacial area transport equation

    International Nuclear Information System (INIS)

    Seungjin, Kim; Mamoru, Ishii

    2005-01-01

    The interfacial area transport equation dynamically models the two-phase flow regime transitions and predicts continuous change of the interfacial area concentration along the flow field. Hence, when employed in the numerical thermal-hydraulic system analysis codes, it eliminates artificial bifurcations stemming from the use of the static flow regime transition criteria. Accounting for the substantial differences in the transport phenomena of various sizes of bubbles, the two-group interfacial area transport equations have been developed. The group 1 equation describes the transport of small-dispersed bubbles that are either distorted or spherical in shapes, and the group 2 equation describes the transport of large cap, slug or churn-turbulent bubbles. The source and sink terms in the right-hand-side of the transport equations have been established by mechanistically modeling the creation and destruction of bubbles due to major bubble interaction mechanisms. In the present paper, the interfacial area transport equations currently available are reviewed to address the feasibility and reliability of the model along with extensive experimental results. These include the data from adiabatic upward air-water two-phase flow in round tubes of various sizes, from a rectangular duct, and from adiabatic co-current downward air-water two-phase flow in round pipes of two sizes. (authors)

  8. Decreased Charge Transport Barrier and Recombination of Organic Solar Cells by Constructing Interfacial Nanojunction with Annealing-Free ZnO and Al Layers.

    Science.gov (United States)

    Liu, Chunyu; Zhang, Dezhong; Li, Zhiqi; Zhang, Xinyuan; Guo, Wenbin; Zhang, Liu; Ruan, Shengping; Long, Yongbing

    2017-07-05

    To overcome drawbacks of the electron transport layer, such as complex surface defects and unmatched energy levels, we successfully employed a smart semiconductor-metal interfacial nanojunciton in organic solar cells by evaporating an ultrathin Al interlayer onto annealing-free ZnO electron transport layer, resulting in a high fill factor of 73.68% and power conversion efficiency of 9.81%. The construction of ZnO-Al nanojunction could effectively fill the surface defects of ZnO and reduce its work function because of the electron transfer from Al to ZnO by Fermi level equilibrium. The filling of surface defects decreased the interfacial carrier recombination in midgap trap states. The reduced surface work function of ZnO-Al remodulated the interfacial characteristics between ZnO and [6,6]-phenyl C71-butyric acid methyl ester (PC 71 BM), decreasing or even eliminating the interfacial barrier against the electron transport, which is beneficial to improve the electron extraction capacity. The filled surface defects and reduced interfacial barrier were realistically observed by photoluminescence measurements of ZnO film and the performance of electron injection devices, respectively. This work provides a simple and effective method to simultaneously solve the problems of surface defects and unmatched energy level for the annealing-free ZnO or other metal oxide semiconductors, paving a way for the future popularization in photovoltaic devices.

  9. pH-Induced Changes in the Surface Viscosity of Unsaturated Phospholipids Monitored Using Active Interfacial Microrheology.

    Science.gov (United States)

    Ghazvini, Saba; Alonso, Ryan; Alhakamy, Nabil; Dhar, Prajnaparamita

    2018-01-23

    Lipid membranes, a major component of cells, are subjected to significant changes in pH depending on their location in the cell: the outer leaflet of the cell membrane is exposed to a pH of 7.4 whereas lipid membranes that make up late endosomes and lysosomes are exposed to a pH of as low as 4.4. The purpose of this study is to evaluate how changes in the environmental pH within cells alter the fluidity of phospholipid membranes. Specifically, we studied pH-induced alterations in the surface arrangement of monounsaturated lipids with zwitterionic headgroups (phosphoethanolamine (PE) and phosphocholine (PC)) that are abundant in plasma membranes as well as anionic lipids (phosphatidylserine (PS) and phosphatidylglycerol (PG)) that are abundant in inner membranes using a combination of techniques including surface tension vs area measurements, interfacial microrheology, and fluorescence/atomic force microscopy. Using an active interfacial microrheology technique, we find that phospholipids with zwitterionic headgroups show a significant increase in their surface viscosity at acidic pH. This increase in surface viscosity is also found to depend on the size of the lipid headgroup, with a smaller headgroup showing a greater increase in viscosity. The observed pH-induced increase in viscosity is also accompanied by an increase in the cohesion pressure between zwitterionic molecules at acidic pH and a decrease in the average molecular area of the lipids, as measured by fitting the surface pressure isotherms to well-established equations of state. Because fluorescent images show no change in the phase of the lipids, we attribute this change in surface viscosity to the pH-induced reorientation of the P - -N + dipoles that form part of the polar lipid headgroup, resulting in increased lipid-lipid interactions. Anionic PG headgroups do not demonstrate this pH-induced change in viscosity, suggesting that the presence of a net negative charge on the headgroup causes

  10. Integer charge transfer at the tetrakis(dimethylamino)ethylene/Au interface

    DEFF Research Database (Denmark)

    Lindell, L.; Unge, Mikael; Osikowicz, W.

    2008-01-01

    In organic-based electronics, interfacial properties have a profound impact on device performance. The lineup of energy levels is usually dependent on interface dipoles, which may arise from charge transfer reactions. In many applications, metal-organic junctions are prepared under ambient...

  11. Implications of surface charge and curvature for the binding orientation of Thermomyces lanuginosus lipase on negatively charged or zwitterionic phospholipid vesicles as studied by ESR spectroscopy

    DEFF Research Database (Denmark)

    Hedin, E.M.K.; Høyrup, Lise Pernille Kristine; Patkar, S.A.

    2005-01-01

    fluorescence quenching efficiency between each spin-label positioned on TLL, and the lipid membrane. ESR exposure and fluorescence quenching data show that TILL associates closer to the negatively charged PG surface than the zwitterionic PC surface, and binds to both POPG LUV and POPC SUV predominantly through......The triglyceride lipase (EC 3.1.1.3) Thermomyces lanuginosus lipase (TLL) binds with high affinity to unilamellar phospholipid vesicles that serve as a diluent interface for both lipase and substrate, but it displays interfacial activation on only small and negatively charged such vesicles [Cajal......) spectroscopy in combination with site-directed spin-labeling [Hedin, E. M. K., et al. (2002) Biochemistry 41, 1418514196]. In our investigation, we have studied the interfacial orientation of TLL when bound to large unilamellar vesicles (LUV) consisting of POPG, and bound to SUV consisting of 1-palmitoyl-2...

  12. Charge pumping by magnetization dynamics in magnetic and semimagnetic tunnel junctions with interfacial Rashba or bulk extrinsic spin-orbit coupling

    Science.gov (United States)

    Mahfouzi, Farzad; Fabian, Jaroslav; Nagaosa, Naoto; Nikolić, Branislav K.

    2012-02-01

    We develop a time-dependent nonequilibrium Green function (NEGF) approach to the problem of spin pumping by precessing magnetization in one of the ferromagnetic layers within F|I|F magnetic tunnel junctions (MTJs) or F|I|N semi-MTJs in the presence of intrinsic Rashba spin-orbit coupling (SOC) at the F|I interface or the extrinsic SOC in the bulk of F layers of finite thickness (F, ferromagnet; N, normal metal; I, insulating barrier). To express the time-averaged pumped charge current, or the corresponding dc voltage signal in an open circuit, we construct a novel solution to double-time-Fourier-transformed NEGF equations. The two energy arguments of NEGFs in this representation are connected by the Floquet theorem describing multiphoton emission and absorption processes. Within this fully quantum-mechanical treatment of the conduction electrons, we find that (i) only in the presence of the interfacial Rashba SOC, the nonzero dc pumping voltage Vpump in F|I|N junctions can emerge at the adiabatic level (i.e., proportional to the microwave frequency), which could explain recent experiments on microwave-driven semi-MTJs [T. Moriyama , Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.100.067602 100, 067602 (2008)]; (ii) a unique signature of this charge pumping phenomenon, where the Rashba SOC within the precessing F layer participates in the pumping process, is a Vpump that changes sign as the function of the precession cone angle; (iii) unlike conventional spin pumping in MTJs in the absence of any SOC, where one emitted or absorbed microwave photon is sufficient to match the exact solution in the frame rotating with the magnetization, the presence of the Rashba SOC requires taking into account up to 10 photons in order to reach the asymptotic value of pumped charge current; (iv) the disorder within F|I|F MTJs can enhance Vpump in the quasiballistic transport regime; and (v) the extrinsic SOC in F|I|F MTJs causes spin relaxation and eventually the decay of Vpump

  13. Extraction method of interfacial injected charges for SiC power MOSFETs

    Science.gov (United States)

    Wei, Jiaxing; Liu, Siyang; Li, Sheng; Song, Haiyang; Chen, Xin; Li, Ting; Fang, Jiong; Sun, Weifeng

    2018-01-01

    An improved novel extraction method which can characterize the injected charges along the gate oxide interface for silicon carbide (SiC) power metal-oxide-semiconductor field-effect transistors (MOSFETs) is proposed. According to the different interface situations of the channel region and the junction FET (JFET) region, the gate capacitance versus gate voltage (Cg-Vg) curve of the device can be divided into three relatively independent parts, through which the locations and the types of the charges injected in to the oxide above the interface can be distinguished. Moreover, the densities of these charges can also be calculated by the amplitudes of the shifts in the Cg-Vg curve. The correctness of this method is proved by TCAD simulations. Moreover, experiments on devices stressed by unclamped-inductive-switching (UIS) stress and negative bias temperature stress (NBTS) are performed to verify the validity of this method.

  14. Charge injection and transport properties of an organic light-emitting diode

    Directory of Open Access Journals (Sweden)

    Peter Juhasz

    2016-01-01

    Full Text Available The charge behavior of organic light emitting diode (OLED is investigated by steady-state current–voltage technique and impedance spectroscopy at various temperatures to obtain activation energies of charge injection and transport processes. Good agreement of activation energies obtained by steady-state and frequency-domain was used to analyze their contributions to the charge injection and transport. We concluded that charge is injected into the OLED device mostly through the interfacial states at low voltage region, whereas the thermionic injection dominates in the high voltage region. This comparison of experimental techniques demonstrates their capabilities of identification of major bottleneck of charge injection and transport.

  15. A differential dielectric spectroscopy setup to measure the electric dipole moment and net charge of colloidal quantum dots.

    Science.gov (United States)

    Kortschot, R J; Bakelaar, I A; Erné, B H; Kuipers, B W M

    2014-03-01

    A sensitive dielectric spectroscopy setup is built to measure the response of nanoparticles dispersed in a liquid to an alternating electric field over a frequency range from 10(-2) to 10(7) Hz. The measured complex permittivity spectrum records both the rotational dynamics due to a permanent electric dipole moment and the translational dynamics due to net charges. The setup consists of a half-transparent capacitor connected in a bridge circuit, which is balanced on pure solvent only, using a software-controlled compensating voltage. In this way, the measured signal is dominated by the contributions of the nanoparticles rather than by the solvent. We demonstrate the performance of the setup with measurements on a dispersion of colloidal CdSe quantum dots in the apolar liquid decalin.

  16. Interfacial effects in organic semiconductor heterojunctions

    International Nuclear Information System (INIS)

    Stadler, P.

    2011-01-01

    The field of organic electronics has systematically gained interest in recent years, technologically and scientifically advances have been made leading to practical applications such as organic light emitting diodes, organic field-effect transistors and organic photo-voltaic cells. In this thesis a fundamental study on organic molecules is presented targeting on interfacial effects at organic heterojunctions. Generally in organic electronic devices interfaces are considered as key parameters for achieving high performance applications. Therefore in this work the emphasis is to investigate layer-by-layer heterojunctions of organic molecules. Defined heterojunctions at inorganic III-V semiconductors form superlattices and quantum-wells, which lead to interfacial effects summarized as quantum confinement and two-dimensional electron gases. Although organic molecules differ in many aspects from their inorganic counterparts, similar effects can be theoretically expected at organic heterojunctions as well. Organic molecules form van-der-Waals type crystals and domains which are macroscopically anisotropic and polycrystalline or amorphous. Organic molecules are intrinsic semiconductors and at interfaces dipoles are formed, which control the energy level alignment. In order to characterize such structures and compare them to inorganic superlattices and quantum-wells it is necessary to induce charge carriers. In this work this is established either by interfacial doping using high-performance dielectrics in a field-effect transistor structure or by photo-doping by exciting a donor-acceptor bilayer. In both cases C 60 was chosen as organic semiconductor exhibiting good acceptor properties and an electron mobility in the range of 0.5 cm 2 V -1 s -1 . The fabrication of well-defined few-molecular layers allows probing directly at the interface. Spectroscopic methods and transport measurements are applied for characterization: Photoemission spectroscopy, absorption and photo

  17. The economic effect of electricity net-metering with solar PV: Consequences for network cost recovery, cross subsidies and policy objectives

    International Nuclear Information System (INIS)

    Eid, Cherrelle; Reneses Guillén, Javier; Frías Marín, Pablo; Hakvoort, Rudi

    2014-01-01

    Net-metering is commonly known as a practice by which owners of distributed generation (DG) units may offset their electricity consumption from the grid with local generation. The increasing number of prosumers (consumers that both produce and consume electricity) with solar photovoltaic (PV) generation combined with net-metering results in reduced incomes for many network utilities worldwide. Consequently, this pushes utilities to increase charges per kW h in order to recover costs. For non-PV owners, this could result into inequality issues due to the fact that also non-PV owners have to pay higher chargers for their electricity consumed to make up for netted costs of PV-owners. In order to provide insight in those inequality issues caused by net-metering, this study presents the effects on cross-subsidies, cost recovery and policy objectives evolving from different applied netmetering and tariff designs for a residential consumer. Eventually this paper provides recommendations regarding tariffs and metering that will result in more explicit incentives for PV, instead of the current implicit incentives which are present to PV owners due to net-metering. - Highlights: • Network users are frequently charged by energy charging and fixed charging. • Net-metering with energy charging causes potential problems for DSO cost recovery. • Increasing rolling credit timeframes amplify net-metering impacts on cost recovery. • Observed capacity charging can incentivize local storage and self-consumption. • PV owners should receive direct incentives in order to avoid cross subsidization

  18. Charge densities and charge noise in mesoscopic conductors

    Indian Academy of Sciences (India)

    This generalization leads to a local Wigner–Smith life-time matrix. Keywords. Density ... Of interest is the charge distribution in such a conductor and ..... is the transmission probability of the scattering problem without absorption if .... as a voltage probe which has its potential adjusted in such a way that there is no net current.

  19. Minimizing performance degradation induced by interfacial recombination in perovskite solar cells through tailoring of the transport layer electronic properties

    Directory of Open Access Journals (Sweden)

    Liang Xu

    2018-03-01

    Full Text Available The performance of hybrid organic-inorganic metal halide perovskite solar cells is investigated using one-dimensional drift-diffusion device simulations. We study the effects of interfacial defect density, doping concentration, and electronic level positions of the charge transport layer (CTL. Choosing CTLs with a favorable band alignment, rather than passivating CTL-perovskite interfacial defects, is shown to be beneficial for maintaining high power-conversion efficiency, due to reduced minority carrier density arising from a favorable local electric field profile. Insights from this study provide theoretical guidance on practical selection of CTL materials for achieving high-performance perovskite solar cells.

  20. Enhanced ionic conductivity in composite materials due to interfacial space charge layers

    International Nuclear Information System (INIS)

    Dudney, N.J.

    1985-01-01

    The ionic conductivity of a number of salts (e.g., β-AgI, LiI, CuCl, HgI 2 , etc.) can be enhanced by one to three orders of magnitude with the addition of fine particles of an insoluble and nonconducting material such as Al 2 O 3 or SiO 2 . Typically the conductivity increases with addition of the inert particles and reaches a peak at 10-40 vol % of the particles. The mechanism responsible for the enhanced conductivity of the composite is not understood at this time. Some claim that this effect is due to an increased concentration of charge carriers in a diffuse space charge layer near the charged surface of the particle. The goal of the present study is to test this proposed mechanism by calculating the maximum space charge layer effect and then using this result to estimate the conductivity of a composite with a random distribution of Al 2 O 3 particles. Also, the conductivity of composite systems has been investigated assuming an ordered distribution of particles which are surrounded by a high conductivity layer

  1. Interfacial forces in aqueous media

    CERN Document Server

    van Oss, Carel J

    2006-01-01

    Thoroughly revised and reorganized, the second edition of Interfacial Forces in Aqueous Media examines the role of polar interfacial and noncovalent interactions among biological and nonbiological macromolecules as well as biopolymers, particles, surfaces, cells, and both polar and apolar polymers. The book encompasses Lifshitz-van der Waals and electrical double layer interactions, as well as Lewis acid-base interactions between colloidal entities in polar liquids such as water. New in this Edition: Four previously unpublished chapters comprising a new section on interfacial propertie

  2. Dentin-cement Interfacial Interaction

    Science.gov (United States)

    Atmeh, A.R.; Chong, E.Z.; Richard, G.; Festy, F.; Watson, T.F.

    2012-01-01

    The interfacial properties of a new calcium-silicate-based coronal restorative material (Biodentine™) and a glass-ionomer cement (GIC) with dentin have been studied by confocal laser scanning microscopy (CLSM), scanning electron microscopy (SEM), micro-Raman spectroscopy, and two-photon auto-fluorescence and second-harmonic-generation (SHG) imaging. Results indicate the formation of tag-like structures alongside an interfacial layer called the “mineral infiltration zone”, where the alkaline caustic effect of the calcium silicate cement’s hydration products degrades the collagenous component of the interfacial dentin. This degradation leads to the formation of a porous structure which facilitates the permeation of high concentrations of Ca2+, OH-, and CO32- ions, leading to increased mineralization in this region. Comparison of the dentin-restorative interfaces shows that there is a dentin-mineral infiltration with the Biodentine, whereas polyacrylic and tartaric acids and their salts characterize the penetration of the GIC. A new type of interfacial interaction, “the mineral infiltration zone”, is suggested for these calcium-silicate-based cements. PMID:22436906

  3. Stochastic theory of interfacial enzyme kinetics: A kinetic Monte Carlo study

    International Nuclear Information System (INIS)

    Das, Biswajit; Gangopadhyay, Gautam

    2012-01-01

    Graphical abstract: Stochastic theory of interfacial enzyme kinetics is formulated. Numerical results of macroscopic phenomenon of lag-burst kinetics is obtained by using a kinetic Monte Carlo approach to single enzyme activity. Highlights: ► An enzyme is attached with the fluid state phospholipid molecules on the Langmuir monolayer. ► Through the diffusion, the enzyme molecule reaches the gel–fluid interface. ► After hydrolysing a phospholipid molecule it predominantly leaves the surface in the lag phase. ► The enzyme is strictly attached to the surface with scooting mode of motion and the burst phase appears. - Abstract: In the spirit of Gillespie’s stochastic approach we have formulated a theory to explore the advancement of the interfacial enzyme kinetics at the single enzyme level which is ultimately utilized to obtain the ensemble average macroscopic feature, lag-burst kinetics. We have provided a theory of the transition from the lag phase to the burst phase kinetics by considering the gradual development of electrostatic interaction among the positively charged enzyme and negatively charged product molecules deposited on the phospholipid surface. It is shown that the different diffusion time scales of the enzyme over the fluid and product regions are responsible for the memory effect in the correlation of successive turnover events of the hopping mode in the single trajectory analysis which again is reflected on the non-Gaussian distribution of turnover times on the macroscopic kinetics in the lag phase unlike the burst phase kinetics.

  4. Effect of Fullerene Passivation on the Charging and Discharging Behavior of Perovskite Solar Cells: Reduction of Bound Charges and Ion Accumulation.

    Science.gov (United States)

    Shih, Yen-Chen; Wang, Leeyih; Hsieh, Hsiao-Chi; Lin, King-Fu

    2018-04-11

    Ion accumulation of organometal halide perovskites (OHPs) induced by electrode polarization of perovskite solar cells (PSCs) under illumination has been intensely studied and associated with a widely observed current-voltage hysteresis behavior. This work is dedicated to the investigation of the behavior of charged species at the compact TiO 2 /OHP interface with respect to electrode polarization in PSC devices. By providing a comprehensive discussion of open-circuit voltage ( V OC ) buildup and V OC decay under illumination and in the dark for the PSCs modified with [6,6]-phenyl-C 61 butyric acid methyl ester (PCBM) at the TiO 2 /OHP interface and their corresponding electrochemical impedance spectroscopies (EISs), a justified mechanism is proposed attempting to elucidate the dynamics of interfacial species with respect to the time and frequency domains. Our results demonstrate that the retarded V OC buildup and decay observed in PSC devices are related to the formation of bound charges in TiO 2 , which is essential to neutralize the oppositely charged ions accumulating at the OHP side. Besides, inserting a thicker PCBM at the TiO 2 /OHP interface as a passivation layer can alleviate the electrode polarization more efficiently as verified by the low dielectric constant measured from EIS. Moreover, photoluminescence measurements indicate that PCBM at the TiO 2 /OHP interface is capable of passivating a trap state and improving charge transfer. However, with respect to the time scale investigated in this work, the reduction of the hysteresis behavior on a millisecond scale is more likely due to less bound charge formation at the interface rather than shallow trap-state passivation by PCBM. After all, this work comprehensively demonstrates the interfacial properties of PSCs associated with PCBM passivation and helps to further understand its impact on charging/discharging as well as device performance.

  5. A differential dielectric spectroscopy setup to measure the electric dipole moment and net charge of colloidal quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Kortschot, R. J.; Bakelaar, I. A.; Erné, B. H.; Kuipers, B. W. M., E-mail: B.W.M.Kuipers@uu.nl [Van ' t Hoff Laboratory for Physical and Colloid Chemistry, Debye Institute for Nanomaterials Science, Utrecht University, Padualaan 8, 3584 CH Utrecht (Netherlands)

    2014-03-15

    A sensitive dielectric spectroscopy setup is built to measure the response of nanoparticles dispersed in a liquid to an alternating electric field over a frequency range from 10{sup −2} to 10{sup 7} Hz. The measured complex permittivity spectrum records both the rotational dynamics due to a permanent electric dipole moment and the translational dynamics due to net charges. The setup consists of a half-transparent capacitor connected in a bridge circuit, which is balanced on pure solvent only, using a software-controlled compensating voltage. In this way, the measured signal is dominated by the contributions of the nanoparticles rather than by the solvent. We demonstrate the performance of the setup with measurements on a dispersion of colloidal CdSe quantum dots in the apolar liquid decalin.

  6. Open-Circuit Voltage in Organic Solar Cells: The Impacts of Donor Semicrystallinity and Coexistence of Multiple Interfacial Charge-Transfer Bands

    KAUST Repository

    Ngongang Ndjawa, Guy Olivier; Graham, Kenneth; Mollinger, Sonya; Wu, Di M.; Hanifi, David; Prasanna, Rohit; Rose, Bradley Daniel; Dey, Sukumar; Yu, Liyang; Bredas, Jean-Luc; McGehee, Michael D.; Salleo, Alberto; Amassian, Aram

    2017-01-01

    In organic solar cells (OSCs), the energy of the charge-transfer (CT) complexes at the donor-acceptor interface, E , determines the maximum open-circuit voltage (V ). The coexistence of phases with different degrees of order in the donor or the acceptor, as in blends of semi-crystalline donors and fullerenes in bulk heterojunction layers, influences the distribution of CT states and the V enormously. Yet, the question of how structural heterogeneities alter CT states and the V is seldom addressed systematically. In this work, we combine experimental measurements of vacuum-deposited rubrene/C bilayer OSCs, with varying microstructure and texture, with density functional theory calculations to determine how relative molecular orientations and extents of structural order influence E and V . We find that varying the microstructure of rubrene gives rise to CT bands with varying energies. The CT band that originates from crystalline rubrene lies up to ≈0.4 eV lower in energy compared to the one that arises from amorphous rubrene. These low-lying CT states contribute strongly to V losses and result mainly from hole delocalization in aggregated rubrene. This work points to the importance of realizing interfacial structural control that prevents the formation of low E configurations and maximizes V .

  7. Open-Circuit Voltage in Organic Solar Cells: The Impacts of Donor Semicrystallinity and Coexistence of Multiple Interfacial Charge-Transfer Bands

    KAUST Repository

    Ngongang Ndjawa, Guy Olivier

    2017-01-16

    In organic solar cells (OSCs), the energy of the charge-transfer (CT) complexes at the donor-acceptor interface, E , determines the maximum open-circuit voltage (V ). The coexistence of phases with different degrees of order in the donor or the acceptor, as in blends of semi-crystalline donors and fullerenes in bulk heterojunction layers, influences the distribution of CT states and the V enormously. Yet, the question of how structural heterogeneities alter CT states and the V is seldom addressed systematically. In this work, we combine experimental measurements of vacuum-deposited rubrene/C bilayer OSCs, with varying microstructure and texture, with density functional theory calculations to determine how relative molecular orientations and extents of structural order influence E and V . We find that varying the microstructure of rubrene gives rise to CT bands with varying energies. The CT band that originates from crystalline rubrene lies up to ≈0.4 eV lower in energy compared to the one that arises from amorphous rubrene. These low-lying CT states contribute strongly to V losses and result mainly from hole delocalization in aggregated rubrene. This work points to the importance of realizing interfacial structural control that prevents the formation of low E configurations and maximizes V .

  8. Characterization of interfacial waves in horizontal core-annular flow

    Science.gov (United States)

    Tripathi, Sumit; Bhattacharya, Amitabh; Singh, Ramesh; Tabor, Rico F.

    2016-11-01

    In this work, we characterize interfacial waves in horizontal core annular flow (CAF) of fuel-oil and water. Experimental studies on CAF were performed in an acrylic pipe of 15.5mm internal diameter, and the time evolution of the oil-water interface shape was recorded with a high speed camera for a range of different flow-rates of oil (Qo) and water (Qw). The power spectrum of the interface shape shows a range of notable features. First, there is negligible energy in wavenumbers larger than 2 π / a , where a is the thickness of the annulus. Second, for high Qo /Qw , there is no single dominant wavelength, as the flow in the confined annulus does not allow formation of a preferred mode. Third, for lower Qo /Qw , a dominant mode arises at a wavenumber of 2 π / a . We also observe that the power spectrum of the interface shape depends weakly on Qw, and strongly on Qo, perhaps because the net shear rate in the annulus appears to depend weakly on Qw as well. We also attempt to build a general empirical model for CAF by relating the interfacial stress (calculated via the mean pressure gradient) to the flow rate in the annulus, the annular thickness and the core velocity. Authors are thankful to Orica Mining Services (Australia) for the financial support.

  9. Water/ionic liquid/organic three-phase interfacial synthesis of coral-like polypyrrole toward enhanced electrochemical capacitance

    International Nuclear Information System (INIS)

    Hou Linrui; Yuan Changzhou; Li Diankai; Yang Long; Shen Laifa; Zhang Fang; Zhang Xiaogang

    2011-01-01

    Highlights: → Interfacial synthesis strategies are proposed to synthesize PPy samples. → Water/ionic liquid /organic three-phase interface for preparing coral-like PPy. → Coral-like PPy with more ordered structure and better electronic conductivity. → Coral-like PPy owns higher rate performance and better electrochemical stability. - Abstract: Two interfacial synthesis strategies are proposed to synthesize polypyrrole samples for electrochemical capacitors (ECs). In contrast to water/organic two-phase route, unique water/ionic liquid (IL)/organic three-phase interface strategy is first performed to prepare coral-like polypyrrole with even better electrochemical capacitance, where 1-Ethyl-3-methylimidazolium tetrafluoroborate IL, as a 'buffering zone', is set between the water and organic phases to control the morphology and micro-structure of the polypyrrole phase during polymerization. The polypyrrole synthesized by three-phase interfacial route owns more ordered structure, less charge transfer resistance and better electronic conductivity, compared with two-phase method, and delivers larger specific capacitance, higher rate performance and better electrochemical stability at large current densities in 3 M KCl aqueous electrolyte.

  10. Single-Molecule Interfacial Electron Transfer

    Energy Technology Data Exchange (ETDEWEB)

    Lu, H. Peter [Bowling Green State Univ., Bowling Green, OH (United States). Dept. of Chemistry and Center for Photochemical Sciences

    2017-11-28

    This project is focused on the use of single-molecule high spatial and temporal resolved techniques to study molecular dynamics in condensed phase and at interfaces, especially, the complex reaction dynamics associated with electron and energy transfer rate processes. The complexity and inhomogeneity of the interfacial ET dynamics often present a major challenge for a molecular level comprehension of the intrinsically complex systems, which calls for both higher spatial and temporal resolutions at ultimate single-molecule and single-particle sensitivities. Combined single-molecule spectroscopy and electrochemical atomic force microscopy approaches are unique for heterogeneous and complex interfacial electron transfer systems because the static and dynamic inhomogeneities can be identified and characterized by studying one molecule at a specific nanoscale surface site at a time. The goal of our project is to integrate and apply these spectroscopic imaging and topographic scanning techniques to measure the energy flow and electron flow between molecules and substrate surfaces as a function of surface site geometry and molecular structure. We have been primarily focusing on studying interfacial electron transfer under ambient condition and electrolyte solution involving both single crystal and colloidal TiO2 and related substrates. The resulting molecular level understanding of the fundamental interfacial electron transfer processes will be important for developing efficient light harvesting systems and broadly applicable to problems in fundamental chemistry and physics. We have made significant advancement on deciphering the underlying mechanism of the complex and inhomogeneous interfacial electron transfer dynamics in dyesensitized TiO2 nanoparticle systems that strongly involves with and regulated by molecule-surface interactions. We have studied interfacial electron transfer on TiO2 nanoparticle surfaces by using ultrafast single

  11. Interfacial heat transfer - State of the art

    International Nuclear Information System (INIS)

    Yadigaroglu, G.

    1987-01-01

    Interfacial heat exchanges control the interfacial mass exchange rate, depend on the interfacial area, and are tied to the prediction of thermal nonequilibrium. The nature of the problem usually requires the formulation of mechanistic laws and precludes the general use of universal correlations. This is partly due to the fact that the length scale controlling the interfacial exchanges varies widely from one situation to another and has a strong influence on the exchange coefficients. Within the framework of the ''two-fluid models'', the exchanges occurring at the interfaces are explicitly taken into consideration by the jump condition linking the volumetric mass exchange (evaporation) rate between the phases, to the interfacial energy transfer rates

  12. Interfacial and Surface Science | Materials Science | NREL

    Science.gov (United States)

    Science group within the Material Science Center. He oversees research studies of surfaces and interfaces Interfacial and Surface Science Interfacial and Surface Science Image of irregular-outlined, light address a broad range of fundamental and applied issues in surface and interfacial science that are

  13. Reduced Charge Transfer Exciton Recombination in Organic Semiconductor Heterojunctions by Molecular Doping

    Science.gov (United States)

    Deschler, Felix; da Como, Enrico; Limmer, Thomas; Tautz, Raphael; Godde, Tillmann; Bayer, Manfred; von Hauff, Elizabeth; Yilmaz, Seyfullah; Allard, Sybille; Scherf, Ullrich; Feldmann, Jochen

    2011-09-01

    We investigate the effect of molecular doping on the recombination of electrons and holes localized at conjugated-polymer-fullerene interfaces. We demonstrate that a low concentration of p-type dopant molecules (<4% weight) reduces the interfacial recombination via charge transfer excitons and results in a favored formation of separated carriers. This is observed by the ultrafast quenching of photoluminescence from charge transfer excitons and the increase in photoinduced polaron density by ˜70%. The results are consistent with a reduced formation of emissive charge transfer excitons, induced by state filling of tail states.

  14. Markets, voucher subsidies and free nets combine to achieve high bed net coverage in rural Tanzania

    Directory of Open Access Journals (Sweden)

    Gerrets Rene PM

    2008-06-01

    Full Text Available Abstract Background Tanzania has a well-developed network of commercial ITN retailers. In 2004, the government introduced a voucher subsidy for pregnant women and, in mid 2005, helped distribute free nets to under-fives in small number of districts, including Rufiji on the southern coast, during a child health campaign. Contributions of these multiple insecticide-treated net delivery strategies existing at the same time and place to coverage in a poor rural community were assessed. Methods Cross-sectional household survey in 6,331 members of randomly selected 1,752 households of 31 rural villages of Demographic Surveillance System in Rufiji district, Southern Tanzania was conducted in 2006. A questionnaire was administered to every consenting respondent about net use, treatment status and delivery mechanism. Findings Net use was 62.7% overall, 87.2% amongst infants (0 to1 year, 81.8% amongst young children (>1 to 5 years, 54.5% amongst older children (6 to 15 years and 59.6% amongst adults (>15 years. 30.2% of all nets had been treated six months prior to interview. The biggest source of nets used by infants was purchase from the private sector with a voucher subsidy (41.8%. Half of nets used by young children (50.0% and over a third of those used by older children (37.2% were obtained free of charge through the vaccination campaign. The largest source of nets amongst the population overall was commercial purchase (45.1% use and was the primary means for protecting adults (60.2% use. All delivery mechanisms, especially sale of nets at full market price, under-served the poorest but no difference in equity was observed between voucher-subsidized and freely distributed nets. Conclusion All three delivery strategies enabled a poor rural community to achieve net coverage high enough to yield both personal and community level protection for the entire population. Each of them reached their relevant target group and free nets only temporarily

  15. Reduced Charge Transfer Exciton Recombination in Organic Semiconductor Heterojunctions by Molecular Doping

    NARCIS (Netherlands)

    Deschler, Felix; Da Como, Enrico; Limmer, Thomas; Tautz, Raphael; Godde, Tillmann; Bayer, Manfred; von Hauff, Elizabeth; Yilmaz, Seyfullah; Allard, Sybille; Scherf, Ullrich; Feldmann, Jochen

    2011-01-01

    We investigate the effect of molecular doping on the recombination of electrons and holes localized at conjugated-polymer–fullerene interfaces. We demonstrate that a low concentration of p-type dopant molecules (<4% weight) reduces the interfacial recombination via charge transfer excitons and

  16. Radiation hardness of the Si-Si0/sub 2/ interface and carrier localisation in the inversion layer

    Energy Technology Data Exchange (ETDEWEB)

    Pepper, M [Cambridge Univ. (UK). Cavendish Lab.

    1977-08-28

    The results of low temperature measurements of inversion layer conductance suggest that there are positive and negative charges in the form of pairs close to the Si-Si0/sub 2/ interface. The negative centres trap holes created in the Si0/sub 2/ by the irradiation of MOS structures. The annealing treatments developed to 'harden' the interface, by minimising the hole trapping, are interpreted as resulting in a reduction in the total interfacial charge, which is not apparent from measurements of the net charge. It is suggested that the dependence of the localisation effects on the substrate bias may be useful as a diagnostic, pre-irradiation, screening test. By using various interface preparation treatments an exercise in interface engineering is now possible, in which the total interfacial charge, and the form of the random fluctuations in potential, can be altered in a controllable manner.

  17. Coloured Petri Nets and CPN Tools for Modelling and Validation of Concurrent Systems

    DEFF Research Database (Denmark)

    Jensen, Kurt; Kristensen, Lars Michael; Wells, Lisa Marie

    2007-01-01

    Coloured Petri Nets (CPNs) is a language for the modeling and validation og systems in which concurrency, communication, and synchronisation play a major role. Coloured Petri Nets is a descrete-event modeling language combining Petri Nets with the funcitonal programming language Standard ML. Petr...... with user-defined Standard ML functions. A license for CPN Tools can be obtained free of charge, also for commercial use....

  18. Subthreshold slope as a measure of interfacial trap density in pentacene films

    International Nuclear Information System (INIS)

    Kwon, Yongwoo; Park, Byoungnam

    2016-01-01

    Electrical properties in organic field effect transistors (FETs) are dominated by charge transport in the accumulation layer, few molecular layers close to the gate dielectric. Through comparison of the subthreshold slope between monolayer (ML) and thick pentacene FETs, formation of the second layer islands on top of the complete first layer is found to be crucial in determining the charge transport in ML pentacene FETs. It is demonstrated that a pentacene ML field effect transistor (FET) is an excellent probe that can detect electronic states of organic semiconductors interfacing with the gate dielectric at nanometer scale. Far higher sub-threshold slope in ML FETs, as a measure of interfacial charge trap density, than that in thick pentacene FETs is translated that the path of the induced carriers in ML FETs is limited into the molecular layer interfacing with the gate dielectric with a high density of charge traps, while carriers in thicker films have alternative pathways through more electrically conductive layer above the first layer with much less trap density. - Highlights: • Sub-threshold slope is demonstrated to be a measure of interface traps. • For application to sensors, effective charge transport layer should be chosen. • Monolayer transistors can be used as a platform for probing localized states.

  19. Subthreshold slope as a measure of interfacial trap density in pentacene films

    Energy Technology Data Exchange (ETDEWEB)

    Kwon, Yongwoo; Park, Byoungnam, E-mail: metalpbn@hongik.ac.kr

    2016-01-29

    Electrical properties in organic field effect transistors (FETs) are dominated by charge transport in the accumulation layer, few molecular layers close to the gate dielectric. Through comparison of the subthreshold slope between monolayer (ML) and thick pentacene FETs, formation of the second layer islands on top of the complete first layer is found to be crucial in determining the charge transport in ML pentacene FETs. It is demonstrated that a pentacene ML field effect transistor (FET) is an excellent probe that can detect electronic states of organic semiconductors interfacing with the gate dielectric at nanometer scale. Far higher sub-threshold slope in ML FETs, as a measure of interfacial charge trap density, than that in thick pentacene FETs is translated that the path of the induced carriers in ML FETs is limited into the molecular layer interfacing with the gate dielectric with a high density of charge traps, while carriers in thicker films have alternative pathways through more electrically conductive layer above the first layer with much less trap density. - Highlights: • Sub-threshold slope is demonstrated to be a measure of interface traps. • For application to sensors, effective charge transport layer should be chosen. • Monolayer transistors can be used as a platform for probing localized states.

  20. Stability of interfacial waves in two-phase flows

    Energy Technology Data Exchange (ETDEWEB)

    Liu, W S [Ontario Hydro, Toronto, ON (Canada)

    1996-12-31

    The influence of the interfacial pressure and the flow distribution in the one-dimensional two-fluid model on the stability problems of interfacial waves is discussed. With a proper formulation of the interfacial pressure, the following two-phase phenomena can be predicted from the stability and stationary criteria of the interfacial waves: onset of slug flow, stationary hydraulic jump in a stratified flow, flooding in a vertical pipe, and the critical void fraction of a bubbly flow. It can be concluded that the interfacial pressure plays an important role in the interfacial wave propagation of the two-fluid model. The flow distribution parameter may enhance the flow stability range, but only plays a minor role in the two-phase characteristics. (author). 20 refs., 3 tabs., 4 figs.

  1. Defect-driven interfacial electronic structures at an organic/metal-oxide semiconductor heterojunction.

    Science.gov (United States)

    Winget, Paul; Schirra, Laura K; Cornil, David; Li, Hong; Coropceanu, Veaceslav; Ndione, Paul F; Sigdel, Ajaya K; Ginley, David S; Berry, Joseph J; Shim, Jaewon; Kim, Hyungchui; Kippelen, Bernard; Brédas, Jean-Luc; Monti, Oliver L A

    2014-07-16

    The electronic structure of the hybrid interface between ZnO and the prototypical organic semiconductor PTCDI is investigated via a combination of ultraviolet and X-ray photoelectron spectroscopy (UPS/XPS) and density functional theory (DFT) calculations. The interfacial electronic interactions lead to a large interface dipole due to substantial charge transfer from ZnO to 3,4,9,10-perylenetetracarboxylicdiimide (PTCDI), which can be properly described only when accounting for surface defects that confer ZnO its n-type properties. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Inequalities in purchase of mosquito nets and willingness to pay for insecticide-treated nets in Nigeria: Challenges for malaria control interventions

    Directory of Open Access Journals (Sweden)

    Hanson Kara

    2004-03-01

    Full Text Available Abstract Objective To explore the equity implications of insecticide-treated nets (ITN distribution programmes that are based on user charges. Methods A questionnaire was used to collect information on previous purchase of untreated nets and hypothetical willingness to pay (WTP for ITNs from a random sample of householders. A second survey was conducted one month later to collect information on actual purchases of ITNs. An economic status index was used for characterizing inequity. Major findings The lower economic status quintiles were less likely to have previously purchased untreated nets and also had a lower hypothetical and actual WTP for ITNs. Conclusion ITN distribution programmes need to take account of the diversity in WTP for ITNs if they are to ensure equity in access to the nets. This could form part of the overall poverty reduction strategy.

  3. Interfacial Instabilities in Evaporating Drops

    Science.gov (United States)

    Moffat, Ross; Sefiane, Khellil; Matar, Omar

    2007-11-01

    We study the effect of substrate thermal properties on the evaporation of sessile drops of various liquids. An infra-red imaging technique was used to record the interfacial temperature. This technique illustrates the non-uniformity in interfacial temperature distribution that characterises the evaporation process. Our results also demonstrate that the evaporation of methanol droplets is accompanied by the formation of wave-trains in the interfacial temperature field; similar patterns, however, were not observed in the case of water droplets. More complex patterns are observed for FC-72 refrigerant drops. The effect of substrate thermal conductivity on the structure of the complex pattern formation is also elucidated.

  4. Effect of Atmospheric Ions on Interfacial Water

    Directory of Open Access Journals (Sweden)

    Chien-Chang Kurt Kung

    2014-11-01

    Full Text Available The effect of atmospheric positivity on the electrical properties of interfacial water was explored. Interfacial, or exclusion zone (EZ water was created in the standard way, next to a sheet of Nafion placed horizontally at the bottom of a water-filled chamber. Positive atmospheric ions were created from a high voltage source placed above the chamber. Electrical potential distribution in the interfacial water was measured using microelectrodes. We found that beyond a threshold, the positive ions diminished the magnitude of the negative electrical potential in the interfacial water, sometimes even turning it to positive. Additionally, positive ions produced by an air conditioner were observed to generate similar effects; i.e., the electrical potential shifted in the positive direction but returned to negative when the air conditioner stopped blowing. Sometimes, the effect of the positive ions from the air conditioner was strong enough to destroy the structure of interfacial water by turning the potential decidedly positive. Thus, positive air ions can compromise interfacial water negativity and may explain the known negative impact of positive ions on health.

  5. Scaling of interfacial jump conditions; Escalamiento de condiciones de salto interfacial

    Energy Technology Data Exchange (ETDEWEB)

    Quezada G, S.; Vazquez R, A.; Espinosa P, G., E-mail: sequga@gmail.com [Universidad Autonoma Metropolitana, Unidad Iztapalapa, Area de Ingenieria en Recursos Energeticos, Apdo. Postal 55-535, 09340 Ciudad de Mexico (Mexico)

    2015-09-15

    To model the behavior of a nuclear reactor accurately is needed to have balance models that take into account the different phenomena occurring in the reactor. These balances have to be coupled together through boundary conditions. The boundary conditions have been studied and different treatments have been given to the interface. In this paper is a brief description of some of the interfacial jump conditions that have been proposed in recent years. Also, the scaling of an interfacial jump condition is proposed, for coupling the different materials that are in contact within a nuclear reactor. (Author)

  6. Interfacial binding of cutinase rather than its catalytic activity determines the steady state interfacial tension during oil drop lipid hydrolysis.

    Science.gov (United States)

    Flipsen, J A; van Schaick, M A; Dijkman, R; van der Hijden, H T; Verheij, H M; Egmond, M R

    1999-02-01

    Hydrolysis of triglycerides by cutinase from Fusarium solani pisi causes in oil drop tensiometer experiments a decrease of the interfacial tension. A series of cutinase variants with amino acid substitutions at its molecular surface yielded different values of the steady state interfacial tension. This tension value poorly correlated with the specific activity as such nor with the total activity (defined as the specific activity multiplied by the amount of enzyme bound) of the cutinase variants. Moreover, it appeared that at activity levels above 15% of that of wild type cutinase the contribution of hydrolysis to the decrease of the tension is saturating. A clear positive correlation was found between the interfacial tension plateau value and the interfacial binding of cutinase, as determined with attenuated total reflection Fourier transformed infrared spectroscopy (ATR-FTIR). These results indicate that the interfacial steady state level is not determined by the rate of hydrolysis, but mainly by the interfacial binding of cutinase.

  7. The interfacial tension of the mercury —1 M HClO4− solution interface at high potentials; comparison with double-layer capacitance measurements

    NARCIS (Netherlands)

    Sluyters-Rehbach, M.; Woittiez, W.J.A.; Sluyters, J.H.

    Interfacial tension values have been measured in order to calculate the electrical charge density as a function of potential. The results are in accordance with those obtained from double-layer capacitance data reported earlier2,3, also at highly positive potentials.

  8. Interfacial ionic 'liquids': connecting static and dynamic structures.

    Science.gov (United States)

    Uysal, Ahmet; Zhou, Hua; Feng, Guang; Lee, Sang Soo; Li, Song; Cummings, Peter T; Fulvio, Pasquale F; Dai, Sheng; McDonough, John K; Gogotsi, Yury; Fenter, Paul

    2015-01-28

    It is well known that room temperature ionic liquids (RTILs) often adopt a charge-separated layered structure, i.e. with alternating cation- and anion-rich layers, at electrified interfaces. However, the dynamic response of the layered structure to temporal variations in applied potential is not well understood. We used in situ, real-time x-ray reflectivity to study the potential-dependent electric double layer (EDL) structure of an imidazolium-based RTIL on charged epitaxial graphene during potential cycling as a function of temperature. The results suggest that the graphene-RTIL interfacial structure is bistable in which the EDL structure at any intermediate potential can be described by the combination of two extreme-potential structures whose proportions vary depending on the polarity and magnitude of the applied potential. This picture is supported by the EDL structures obtained by fully atomistic molecular dynamics simulations at various static potentials. The potential-driven transition between the two structures is characterized by an increasing width but with an approximately fixed hysteresis magnitude as a function of temperature. The results are consistent with the coexistence of distinct anion- and cation-adsorbed structures separated by an energy barrier (∼0.15 eV).

  9. Floating liquid bridge charge dynamics

    Science.gov (United States)

    Teschke, Omar; Soares, David Mendez; Gomes, Whyllerson Evaristo; Valente Filho, Juracyr Ferraz

    2016-01-01

    The interaction of liquid with electric fields is investigated in a configuration where up to 13 kV are applied between electrodes resulting in a 106 V/m electric field in the capillaries and where there is the formation of a free-standing fluid bridge in the interelectrode gap. The Mott-Gurney equation was fitted to the measured ionization current vs applied voltage curve which indicates that the ionization rate at the high-voltage anode electrode dimethylsulfoxide (DMSO) interface and space charging in the interelectrode gap determine the floating liquid bridge current for a given cathode-to-anode voltage. Space charge effects were measured in the cathode becker and also at the liquid bridge since the ionized charges at the anode migrate to the bridge outer surface and decrease the interfacial tension from 43 mJ/m2 to 29 mJ/m2. Two distinct structural regions then form the bridge, a charged plastic (bulk modulus ˜100 MPa) conducting outer layer with a surface conductivity of ˜10-9 Ω-1, which shapes and supports the floating fluid structure, and an inner liquid cylinder, where DMSO molecules flow.

  10. Interfacial reactions between titanium and borate glass

    Energy Technology Data Exchange (ETDEWEB)

    Brow, R.K. [Sandia National Labs., Albuquerque, NM (United States); Saha, S.K.; Goldstein, J.I. [Lehigh Univ., Bethlehem, PA (United States). Dept. of Materials Science

    1992-12-31

    Interfacial reactions between melts of several borate glasses and titanium have been investigated by analytical scanning electron microscopy (SEM) and x-ray photoelectron spectroscopy (XPS). A thin titanium boride interfacial layer is detected by XPS after short (30 minutes) thermal treatments. ASEM analyses after longer thermal treatments (8--120 hours) reveal boron-rich interfacial layers and boride precipitates in the Ti side of the interface.

  11. Incorporating interfacial phenomena in solidification models

    Science.gov (United States)

    Beckermann, Christoph; Wang, Chao Yang

    1994-01-01

    A general methodology is available for the incorporation of microscopic interfacial phenomena in macroscopic solidification models that include diffusion and convection. The method is derived from a formal averaging procedure and a multiphase approach, and relies on the presence of interfacial integrals in the macroscopic transport equations. In a wider engineering context, these techniques are not new, but their application in the analysis and modeling of solidification processes has largely been overlooked. This article describes the techniques and demonstrates their utility in two examples in which microscopic interfacial phenomena are of great importance.

  12. Model of interfacial melting

    DEFF Research Database (Denmark)

    Mouritsen, Ole G.; Zuckermann, Martin J.

    1987-01-01

    A two-dimensional model is proposed to describe systems with phase transitions which take place in terms of crystalline as well as internal degrees of freedom. Computer simulation of the model shows that the interplay between the two sets of degrees of freedom permits observation of grain-boundar......-boundary formation and interfacial melting, a nonequilibrium process by which the system melts at the boundaries of a polycrystalline domain structure. Lipid membranes are candidates for systems with pronounced interfacial melting behavior....

  13. Enhanced interfacial radiation-induced reaction for improving the interfacial adhesion of incompatible polymer blend PP/BR

    International Nuclear Information System (INIS)

    Liu Changhai; Yang Huili; Xu Jun

    1995-01-01

    γ-radiation induced interfacial changes of incompatible polymer isotactic polypropylene (PP) and cis1,4-polybutadiene (BR) blends containing polyfunctional monomer (PFM) triallyl isocyanurate (TAIC) were investigated. The results of the study are as following: PP is incompatible with BR; TAIC is hardly dissolved in both PP and BR; when blended with PP/BR, the concentration of TAIC in the interfacial region is higher than that in dispersion phase of BR or matrix of PP. The crosslinking and/or grafting of which TAIC occurred under radiation in the interfacial region anchored the dispersed BR phase to PP matrix. The interaction between adjacent phases is changed from sole van der Waals force to co-action of both chemical bond and molecular forces. Crosslinking between adjacent phases links the dispersed phase with PP matrix, and grafting in the boundary regions increases the thickness of interface. These result in a good interfacial adhesion between dispersed phase and matrix. (author)

  14. A Method for Promoting Assembly of Metallic and Nonmetallic Nanoparticles into Interfacial Monolayer Films.

    Science.gov (United States)

    Xu, Yikai; Konrad, Magdalena P; Lee, Wendy W Y; Ye, Ziwei; Bell, Steven E J

    2016-08-10

    Two-dimensional metal nanoparticle arrays are normally constructed at liquid-oil interfaces by modifying the surfaces of the constituent nanoparticles so that they self-assemble. Here we present a general and facile new approach for promoting such interfacial assembly without any surface modification. The method use salts that have hydrophobic ions of opposite charge to the nanoparticles, which sit in the oil layer and thus reduce the Coulombic repulsion between the particles in the organic phase, allowing the particles to sit in close proximity to each other at the interface. The advantage of this method is that because it does not require the surface of the particles to be modified it allows nonmetallic particles including TiO2 and SiO2 to be assembled into dense interfacial layers using the same procedure as is used for metallic particles. This opens up a route to a new family of nanostructured functional materials.

  15. Interfacial functionalization and engineering of nanoparticles

    Science.gov (United States)

    Song, Yang

    also of the metal elements in the nanoparticle cores, in contrast to the bulk-exchange counterparts where these distributions were homogeneous within the nanoparticles, as manifested in contact angle, UV--vis, XPS, and TEM measurements. More interestingly, the electrocatalytic performance of the Janus nanoparticles was markedly better than the bulk-exchange ones, suggesting that the segregated distribution of the polar ligands from the apolar ones might further facilitate charge transfer from Ag to Au in the nanoparticle cores, leading to additional improvement of the adsorption and reduction of oxygen. This interfacial protocol was then adopted to prepare trimetallic Ag AuPt Neapolitan nanoparticles by two sequential galvanic exchange reactions of 1-hexanethiolate-capped silver nanoparticles with gold(I)-thiomalic acid and platinum(II)-hexanethiolate complexes. As both reactions were confined to an interface, the Au and Pt elements were situated on two opposite poles of the original Ag nanoparticles, which was clearly manifested in elemental mapping of the nanoparticles, and consistent with the damping and red-shift of the nanoparticle surface plasmon resonance. As nanoscale analogs to conventional amphiphilic molecules, the resulting Janus nanoparticles were found to form oil-in-water micelle-like or water-in-oil reverse micelle-like superparticulate structures depending on the solvent media. These unique characteristics were exploited for the effective transfer of diverse guest nanoparticles between organic and water phase. The transfer of hydrophobic nanoparticles from organic to water media or water-soluble nanoparticles to the organic phase was evidenced by TEM, DLS, UV-Vis, and PL measurements. In particular, line scans based on EDS analysis showed that the vesicle-like structures consisted of multiple layers of the Janus nanoparticles, which encapsulated the guest nanoparticles in the cores. The results highlight the unique effectiveness of using Janus

  16. Efficient charge-spin conversion and magnetization switching through the Rashba effect at topological-insulator/Ag interfaces

    Science.gov (United States)

    Shi, Shuyuan; Wang, Aizhu; Wang, Yi; Ramaswamy, Rajagopalan; Shen, Lei; Moon, Jisoo; Zhu, Dapeng; Yu, Jiawei; Oh, Seongshik; Feng, Yuanping; Yang, Hyunsoo

    2018-01-01

    We report the observation of efficient charge-to-spin conversion in the three-dimensional topological insulator (TI) B i2S e3 and Ag bilayer by the spin-torque ferromagnetic resonance technique. The spin-orbit-torque ratio in the B i2S e3/Ag /CoFeB heterostructure shows a significant enhancement as the Ag thickness increases to ˜2 nm and reaches a value of 0.5 for 5 nm Ag, which is ˜3 times higher than that of B i2S e3/CoFeB at room temperature. The observation reveals the interfacial effect of B i2S e3/Ag exceeds that of the topological surface states (TSSs) in the B i2S e3 layer and plays a dominant role in the charge-to-spin conversion in the B i2S e3/Ag /CoFeB system. Based on first-principles calculations, we attribute our observation to the large Rashba splitting bands which wrap the TSS band and have the same net spin polarization direction as the TSS of B i2S e3 . Subsequently, we demonstrate Rashba-induced magnetization switching in B i2S e3/Ag /Py with a low current density of 5.8 ×105A /c m2 .

  17. Interfacial effect on physical properties of composite media: Interfacial volume fraction with non-spherical hard-core-soft-shell-structured particles.

    Science.gov (United States)

    Xu, Wenxiang; Duan, Qinglin; Ma, Huaifa; Chen, Wen; Chen, Huisu

    2015-11-02

    Interfaces are known to be crucial in a variety of fields and the interfacial volume fraction dramatically affects physical properties of composite media. However, it is an open problem with great significance how to determine the interfacial property in composite media with inclusions of complex geometry. By the stereological theory and the nearest-surface distribution functions, we first propose a theoretical framework to symmetrically present the interfacial volume fraction. In order to verify the interesting generalization, we simulate three-phase composite media by employing hard-core-soft-shell structures composed of hard mono-/polydisperse non-spherical particles, soft interfaces, and matrix. We numerically derive the interfacial volume fraction by a Monte Carlo integration scheme. With the theoretical and numerical results, we find that the interfacial volume fraction is strongly dependent on the so-called geometric size factor and sphericity characterizing the geometric shape in spite of anisotropic particle types. As a significant interfacial property, the present theoretical contribution can be further drawn into predicting the effective transport properties of composite materials.

  18. Hydrated proton and hydroxide charge transfer at the liquid/vapor interface of water

    Energy Technology Data Exchange (ETDEWEB)

    Soniat, Marielle; Rick, Steven W., E-mail: srick@uno.edu [Department of Chemistry, University of New Orleans, New Orleans, Louisiana 70148 (United States); Kumar, Revati [Department of Chemistry, Louisiana State University, Baton Rouge, Louisiana 70808 (United States)

    2015-07-28

    The role of the solvated excess proton and hydroxide ions in interfacial properties is an interesting scientific question with applications in a variety of aqueous behaviors. The role that charge transfer (CT) plays in interfacial behavior is also an unsettled question. Quantum calculations are carried out on clusters of water with an excess proton or a missing proton (hydroxide) to determine their CT. The quantum results are applied to analysis of multi-state empirical valence bond trajectories. The polyatomic nature of the solvated excess proton and hydroxide ion results in directionally dependent CT, depending on whether a water molecule is a hydrogen bond donor or acceptor in relation to the ion. With polyatomic molecules, CT also depends on the intramolecular bond distances in addition to intermolecular distances. The hydrated proton and hydroxide affect water’s liquid/vapor interface in a manner similar to monatomic ions, in that they induce a hydrogen-bonding imbalance at the surface, which results in charged surface waters. This hydrogen bond imbalance, and thus the charged waters at the surface, persists until the ion is at least 10 Å away from the interface.

  19. Hydrated proton and hydroxide charge transfer at the liquid/vapor interface of water

    International Nuclear Information System (INIS)

    Soniat, Marielle; Rick, Steven W.; Kumar, Revati

    2015-01-01

    The role of the solvated excess proton and hydroxide ions in interfacial properties is an interesting scientific question with applications in a variety of aqueous behaviors. The role that charge transfer (CT) plays in interfacial behavior is also an unsettled question. Quantum calculations are carried out on clusters of water with an excess proton or a missing proton (hydroxide) to determine their CT. The quantum results are applied to analysis of multi-state empirical valence bond trajectories. The polyatomic nature of the solvated excess proton and hydroxide ion results in directionally dependent CT, depending on whether a water molecule is a hydrogen bond donor or acceptor in relation to the ion. With polyatomic molecules, CT also depends on the intramolecular bond distances in addition to intermolecular distances. The hydrated proton and hydroxide affect water’s liquid/vapor interface in a manner similar to monatomic ions, in that they induce a hydrogen-bonding imbalance at the surface, which results in charged surface waters. This hydrogen bond imbalance, and thus the charged waters at the surface, persists until the ion is at least 10 Å away from the interface

  20. Schottky barrier and band edge engineering via the interfacial structure and strain for the Pt/TiO2 heterostructure.

    Science.gov (United States)

    Ma, Xiangchao; Wu, Xin; Wang, Yucheng; Dai, Ying

    2017-07-19

    Charge transfer across the Pt/TiO 2 interface, which is mainly determined by the interface Schottky barrier height (SBH), is an important process in the (photo)catalytic and electronic applications of the Pt/TiO 2 composite. Therefore, systematic investigation of the factors that affect the interface SBH is indispensable for understanding and optimizing its performance. In this work, a systematic study of the effects of the interfacial structure and strain on the SBH of the Pt/TiO 2 (001) interface has been carried out based on the first-principles calculations. The results of interface adhesion energy show that two different interfacial structures for the Pt/TiO 2 (001) heterointerface may exist experimentally, namely, O-Pt bonding and Ti-Pt bonding. Moreover, the interfacial structures result in not only different values for the SBH, but also different dependences of the SBH on strain. Detailed investigations show that these versatile modulations of the SBH with the structure and strain are mainly attributed to the strong dependence of the band edges of TiO 2 and the interfacial potential alignments on the strain and structure, suggesting that these results are general and may be applicable to other metal/TiO 2 heterostructures.

  1. Electrostatic charge characteristics of jet nebulized aerosols.

    Science.gov (United States)

    Kwok, Philip Chi Lip; Trietsch, Sebastiaan J; Kumon, Michiko; Chan, Hak-Kim

    2010-06-01

    Liquid droplets can be spontaneously charged in the absence of applied electric fields by spraying. It has been shown by computational simulation that charges may influence particle deposition in the airways. The electrostatic properties of jet nebulized aerosols and their potential effects on lung deposition have hardly been studied. A modified electrical low pressure impactor (ELPI) was employed to characterize the aerosol charges generated from jet nebulized commercial products. The charge and size measurements were conducted at 50% RH and 22 degrees C with a modified ELPI. Ventolin, Bricanyl, and Atrovent were nebulized using PARI LC Plus jet nebulizers coupled to a DeVilbiss Pulmo-Aide compressor. The aerosols were sampled in 30-sec durations. The drug deposits on the impactor stages were assayed chemically using high-performance liquid chromatography (HPLC). The charges of nebulized deionized water, isotonic saline, and the three commercial products diluted with saline were also measured to analyze the contributions of the major nebule ingredients on charging. No mass assays were performed on these runs. All three commercial nebules generated net negative charges. The magnitude of the charges reduced over the period of nebulization. Ventolin and Bricanyl yielded similar charge profiles. Highly variable charges were produced from deionized water. On the other hand, nebulized saline reproducibly generated net positive charges. Diluted commercial nebules showed charge polarity inversion. The charge profiles of diluted salbutamol and terbutaline solutions resembled those of saline, while the charges from diluted ipratropium solutions fluctuated near neutrality. The charge profiles were shown to be influenced by the concentration and physicochemical properties of the drugs, as well as the history of nebulization. The drugs may have unique isoelectric concentrations in saline at which the nebulized droplets would carry near-zero charges. According to results from

  2. Local measurement of interfacial area, interfacial velocity and liquid turbulence in two-phase flow

    International Nuclear Information System (INIS)

    Hibiki, T.; Hogsett, S.; Ishii, M.

    1998-01-01

    Double sensor probe and hotfilm anemometry methods were developed for measuring local flow characteristics in bubbly flow. The formulation for the interfacial area concentration measurement was obtained by improving the formulation derived by Kataoka and Ishii. The assumptions used in the derivation of the equation were verified experimentally. The interfacial area concentration measured by the double sensor probe agreed well with one by the photographic method. The filter to validate the hotfilm anemometry for measuring the liquid velocity and turbulent intensity in bubbly flow was developed based on removing the signal due to the passing bubbles. The local void fraction, interfacial area concentration, interfacial velocity, Sauter mean diameter, liquid velocity, and turbulent intensity of vertical upward air-water flow in a round tube with inner diameter of 50.8 mm were measured by using these methods. A total of 54 data sets were acquired consisting of three superficial gas flow rates, 0.039, 0.067, and 0.147 m/s, and three superficial liquid flow rates, 0.60, 1.00, and 1.30 m/s. The measurements were performed at the three locations: L/D=2, 32, and 62. This data is expected to be used for the development of reliable constitutive relations which reflect the true transfer mechanisms in two-phase flow. (author)

  3. Comparison of crude oil interfacial behavior

    Energy Technology Data Exchange (ETDEWEB)

    Beetge, J.H.; Panchev, N. [Champion Technologies Inc., Fresno, TX (United States)

    2008-07-01

    The bulk properties of crude oil are used to predict its behaviour with regards to treatment, transport and processing. Surface active components, such as asphaltenes, are often used to study or explain critical interfacial behaviour of crude oil. This study investigated the differences and similarities in the interfacial behaviour of the collective surface active component in various crude oils from different sources. The properties of interfaces between crude oil and water were compared using a Teclis drop shape tensiometer. A portion of a crude oil sample was diluted in toluene and contacted with water in a rising drop configuration. Dynamic surface tension and interfacial rheology was examined as a function of time from the early stages of interface formation. Sinusoidal oscillation of the drop volume allowed for the evaluation of visco-elastic behaviour of the crude oil/water interface as it developed with time. The Gibbs elastic modulus, as well as its elastic and viscose components were calculated from the drop shape. The interfacial behaviour was expressed in terms of concentration, oscillation frequency and interface age. It was concluded that knowledge of crude oil interfacial character could be of value in the treatment, transport and processing of crude oils because the its behaviour may play a significant role in crude oil production and processing.

  4. Manipulating interfacial polymer structures through mixed surfactant adsorption and complexation.

    Science.gov (United States)

    Cattoz, Beatrice; de Vos, Wiebe M; Cosgrove, Terence; Crossman, Martin; Prescott, Stuart W

    2012-04-17

    The effects of a nonionic alcohol ethoxylate surfactant, C(13)E(7), on the interactions between PVP and SDS both in the bulk and at the silica nanoparticle interface are studied by photon correlation spectroscopy, solvent relaxation NMR, SANS, and optical reflectometry. Our results confirmed that, in the absence of SDS, C(13)E(7) and PVP are noninteracting, while SDS interacts strongly both with PVP and C(13)E(7) . Studying interfacial interactions showed that the interfacial interactions of PVP with silica can be manipulated by varying the amounts of SDS and C(13)E(7) present. Upon SDS addition, the adsorbed layer thickness of PVP on silica increases due to Coulombic repulsion between micelles in the polymer layer. When C(13)E(7) is progressively added to the system, it forms mixed micelles with the complexed SDS, reducing the total charge per micelle and thus reducing the repulsion between micelle and the silica surface that would otherwise cause the PVP to desorb. This causes the amount of adsorbed polymer to increase with C(13)E(7) addition for the systems containing SDS, demonstrating that addition of C(13)E(7) hinders the SDS-mediated desorption of an adsorbed PVP layer. © 2012 American Chemical Society

  5. Measurement of local interfacial area concentration in boiling loop

    International Nuclear Information System (INIS)

    Kyoung, Ho Kang; Byong, Jo Yun; Goon, Cherl Park

    1995-01-01

    An accurate prediction of two-phase flow is essential to many energy systems, including nuclear reactors. To model the two-phase flow, detailed information on the internal flow structure is required. The void fraction and interfacial area concentration are important fundamental parameters characterizing the internal structure of two-phase flow. The interfacial area concentration is defined as the available interfacial area per unit volume of the two-phase mixture in calculations of the interfacial transport of mass, momentum, and energy. Although a number of studies have been made in this area, the interfacial area concentration in two-phase flow has not been sufficiently investigated either experimentally or analytically. Most existing models for interfacial area concentration are limited to area-averaged interfacial area concentration in a flow channel. And the studies on local interfacial area concentration are limited to the case of air-water two-phase flow. However, the internal flow structure of steam-water two-phase flow having various bubble sizes could be quite different from that of air-water two-phase flow, the reliability of which weak in practical applications. In this study, the local interfacial area concentration steam-water two-phase flow has been investigated experimentally in a circular boiling tube having a heating rod in the center, and for the low flow with liquid superficial velocity <1 m/s

  6. Interfacial effects in a multistage mixer-settler operation

    International Nuclear Information System (INIS)

    Jiinshiung Horng; Daluh Lu; Yingchu Hoh

    1988-01-01

    A pilot-scale mixer-settler with twenty-one stages was used to investigate the interfacial tension change during extraction cycle for the complicated system: NdCl 3 -SmCl 3 -EuCl 3 -GdCl 3 -TbCl 3 -DyCl 3 -HCl- 1 M D2EHPA-kerosene. Interfacial tension, total rare earth (TRE) concentrations in both phases, aqueous acidities, and organic entrainment in the raffinate, etc., were measured for each stage. Murphree stage efficiencies based on organic phase were calculated and related to the interfacial tension profiles. In general, the lower the interfacial tension, the higher the stage efficiency observed. For the extraction section, the stage efficiency ranged from 80% - 100%, but for stripping (including scrubbing) section, it varied from 100% - 15%. For high acidic stripping agent, 5 M HCl, the relatively lower stage efficiency might be due to the protonation of the acidic extractant, therefore the interfacial resistance increased significantly. From the information of stage efficiency, mass transfer direction, and interfacial tension versus solute concentration etc., the Marangoni effect could be used to explain the interfacial phenomena of this complicated extraction system. The results of real stream tests in this investigation will be useful in future plant design. (author)

  7. Charge transport problem

    International Nuclear Information System (INIS)

    Lee, E.P.

    1977-01-01

    In a recent report (UCID 17346, ''Relativistic Particle Beam in a Semi-Infinite Axially Symmetric conducting channel extending from a perfectly conducting plane,'' Dec. 13, 1976) Cooper and Neil demonstrate that the net charge transported by a beam pulse injected into a channel of finite conductivity equals the charge of the beam itself. The channel is taken to be infinite in the positive z direction, has finite radius and is terminated by a conducting ground plane at z =0. This result is not an obvious one, and it is restricted in its applicability by the special model assumed for the channel. It is the purpose to explain the result of Cooper and Neil in more qualitative terms and to make similar calculations using several other channel models. It must be emphasized that these calculations are not concerned with the fate of the transported charge after the pulse has stopped, but rather with how much charge leaves the ground plane assuming the pulse does not stop

  8. Interfacial structures in downward two-phase bubbly flow

    International Nuclear Information System (INIS)

    Paranjape, S.S.; Kim, S.; Ishii, M.; Kelly, J.

    2003-01-01

    Downward two-phase flow was studied considering its significance in view of Light Water Reactor Accidents (LWR) such as Loss of Heat Sink (LOHS) by feed water loss or secondary pipe break. The flow studied, was an adiabatic, air-water, co-current, vertically downward two-phase flow. The experimental test sections had internal hydraulic diameters of 25.4 mm and 50.8 mm. Flow regime map was obtained using the characteristic signals obtained from an impedance void meter, employing neural network based identification methodology to minimize the subjective judgment in determining the flow regimes. A four sensor conductivity probe was used to measure the local two phase flow parameters, which characterize the interfacial structures. The local time averaged two-phase flow parameters measured were: void fraction (α), interfacial area concentration (a i ), bubble velocity (v g ), and Sauter mean diameter (D Sm ). The flow conditions were from the bubbly flow regime. The local profiles of these parameters as well as their axial development revealed the nature of the interfacial structures and the bubble interaction mechanisms occurring in the flow. Furthermore, this study provided a good database for the development of the interfacial area transport equation, which dynamically models the changes in the interfacial area along the flow field. An interfacial area transport equation was developed for downward flow based on that developed for the upward flow, with certain modifications in the bubble interaction terms. The area averaged values of the interfacial area concentration were compared with those predicted by the interfacial area transport model. (author)

  9. Electroluminescence from charge transfer states in Donor/Acceptor solar cells

    DEFF Research Database (Denmark)

    Sherafatipour, Golenaz; Madsen, Morten

    Charge photocurrent generation is a key process in solar energy conversion systems. Effective dissociation of the photo-generated electron-hole pairs (excitons) has a strong influence on the efficiency of the organic solar cells. Charge dissociation takes place at the donor/acceptor interface via...... which the maximum open-circuit voltage can be estimated, and further can be used in the modeling and optimization of the OPV devices. [1] C. Deibe, T. Strobe, and V. Dyakonov, “Role of the charge transfer state in organic donor-acceptor solar cells,” Adv. Mater., vol. 22, pp. 4097–4111, 2010. [2] K...... charge transfer (CT) excitons, which is Coulombically bound interfacial electron- hole pairs residing at the donor/acceptor heterojunctions. The CT state represents an intermediate state between the exciton dissociation and recombination back to the ground state. Since the recombination of photo...

  10. The effects of interfacial recombination and injection barrier on the electrical characteristics of perovskite solar cells

    Directory of Open Access Journals (Sweden)

    Lin Xing Shi

    2018-02-01

    Full Text Available Charge carrier recombination in the perovskite solar cells (PSCs has a deep influence on the electrical performance, such as open circuit voltage, short circuit current, fill factor and ultimately power conversion efficiency. The impacts of injection barrier, recombination channels, doping properties of carrier transport layers and light intensity on the performance of PSCs are theoretically investigated by drift-diffusion model in this work. The results indicate that due to the injection barrier at the interfaces of perovskite and carrier transport layer, the accumulated carriers modify the electric field distribution throughout the PSCs. Thus, a zero electric field is generated at a specific applied voltage, with greatly increases the interfacial recombination, resulting in a local kink of current density-voltage (J-V curve. This work provides an effective strategy to improve the efficiency of PSCs by pertinently reducing both the injection barrier and interfacial recombination.

  11. Interfacial Passivation of the p-Doped Hole-Transporting Layer Using General Insulating Polymers for High-Performance Inverted Perovskite Solar Cells.

    Science.gov (United States)

    Zhang, Fan; Song, Jun; Hu, Rui; Xiang, Yuren; He, Junjie; Hao, Yuying; Lian, Jiarong; Zhang, Bin; Zeng, Pengju; Qu, Junle

    2018-05-01

    Organic-inorganic lead halide perovskite solar cells (PVSCs), as a competing technology with traditional inorganic solar cells, have now realized a high power conversion efficiency (PCE) of 22.1%. In PVSCs, interfacial carrier recombination is one of the dominant energy-loss mechanisms, which also results in the simultaneous loss of potential efficiency. In this work, for planar inverted PVSCs, the carrier recombination is dominated by the dopant concentration in the p-doped hole transport layers (HTLs), since the F4-TCNQ dopant induces more charge traps and electronic transmission channels, thus leading to a decrease in open-circuit voltages (V OC ). This issue is efficiently overcome by inserting a thin insulating polymer layer (poly(methyl methacrylate) or polystyrene) as a passivation layer with an appropriate thickness, which allows for increases in the V OC without significantly sacrificing the fill factor. It is believed that the passivation layer attributes to the passivation of interfacial recombination and the suppression of current leakage at the perovskite/HTL interface. By manipulating this interfacial passivation technique, a high PCE of 20.3% is achieved without hysteresis. Consequently, this versatile interfacial passivation methodology is highly useful for further improving the performance of planar inverted PVSCs. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Interfacial charge trapping in the polymer solar cells and its elimination by solvent annealing

    Directory of Open Access Journals (Sweden)

    A. K. Chauhan

    2016-09-01

    Full Text Available The PCDTBT:PCBM solar cells were fabricated adopting a tandem layer approach to investigate the critical issues of charge trapping, radiation absorption, and efficiency in polymer solar cells. This layered structure was found to be a source of charge trapping which was identified and confirmed by impedance spectroscopy. The low efficiency in multilayered structures was related to trapping of photo-generated carriers and low carrier mobility, and thus an increased recombination. Solvent annealing of the structures in tetrahydrofuran vapors was found beneficial in homogenizing the active layer, dissolving additional interfaces, and elimination of charge traps which improved the carrier mobilities and eventually the device efficiencies.

  13. In situ measurement of fixed charge evolution at silicon surfaces during atomic layer deposition

    International Nuclear Information System (INIS)

    Ju, Ling; Watt, Morgan R.; Strandwitz, Nicholas C.

    2015-01-01

    Interfacial fixed charge or interfacial dipoles are present at many semiconductor-dielectric interfaces and have important effects upon device behavior, yet the chemical origins of these electrostatic phenomena are not fully understood. We report the measurement of changes in Si channel conduction in situ during atomic layer deposition (ALD) of aluminum oxide using trimethylaluminum and water to probe changes in surface electrostatics. Current-voltage data were acquired continually before, during, and after the self-limiting chemical reactions that result in film growth. Our measurements indicated an increase in conductance on p-type samples with p + ohmic contacts and a decrease in conductance on analogous n-type samples. Further, p + contacted samples with n-type channels exhibited an increase in measured current and n + contacted p-type samples exhibited a decrease in current under applied voltage. Device physics simulations, where a fixed surface charge was parameterized on the channel surface, connect the surface charge to changes in current-voltage behavior. The simulations and analogous analytical relationships for near-surface conductance were used to explain the experimental results. Specifically, the changes in current-voltage behavior can be attributed to the formation of a fixed negative charge or the modification of a surface dipole upon chemisorption of trimethylaluminum. These measurements allow for the observation of fixed charge or dipole formation during ALD and provide further insight into the electrostatic behavior at semiconductor-dielectric interfaces during film nucleation

  14. Charge distribution in an two-chain dual model

    International Nuclear Information System (INIS)

    Fialkowski, K.; Kotanski, A.

    1983-01-01

    Charge distributions in the multiple production processes are analysed using the dual chain model. A parametrisation of charge distributions for single dual chains based on the νp and anti vp data is proposed. The rapidity charge distributions are then calculated for pp and anti pp collisions and compared with the previous calculations based on the recursive cascade model of single chains. The results differ at the SPS collider energies and in the energy dependence of the net forward charge supplying the useful tests of the dual chain model. (orig.)

  15. Interfacial Water-Transport Effects in Proton-Exchange Membranes

    Energy Technology Data Exchange (ETDEWEB)

    Kienitz, Brian; Yamada, Haruhiko; Nonoyama, Nobuaki; Weber, Adam

    2009-11-19

    It is well known that the proton-exchange membrane is perhaps the most critical component of a polymer-electrolyte fuel cell. Typical membranes, such as Nafion(R), require hydration to conduct efficiently and are instrumental in cell water management. Recently, evidence has been shown that these membranes might have different interfacial morphology and transport properties than in the bulk. In this paper, experimental data combined with theoretical simulations will be presented that explore the existence and impact of interfacial resistance on water transport for Nafion(R) 21x membranes. A mass-transfer coefficient for the interfacial resistance is calculated from experimental data using different permeation cells. This coefficient is shown to depend exponentially on relative humidity or water activity. The interfacial resistance does not seem to exist for liquid/membrane or membrane/membrane interfaces. The effect of the interfacial resistance is to flatten the water-content profiles within the membrane during operation. Under typical operating conditions, the resistance is on par with the water-transport resistance of the bulk membrane. Thus, the interfacial resistance can be dominant especially in thin, dry membranes and can affect overall fuel-cell performance.

  16. Effect of oxide charge trapping on x-ray photoelectron spectroscopy of HfO2/SiO2/Si structures

    International Nuclear Information System (INIS)

    Abe, Yasuhiro; Miyata, Noriyuki; Suzuki, Haruhiko; Kitamura, Koji; Igarashi, Satoru; Nohira, Hiroshi; Ikenaga, Eiji

    2009-01-01

    We examined the effects of interfacial SiO 2 layers and a surface metal layer on the photoelectron spectra of HfO 2 /SiO 2 /Si structures by hard X-ray photoemission spectroscopy with synchrotron radiation as well as conventional X-ray photoelectron spectroscopy (XPS). The Hf 4f and Hf 3d photoelectron peaks broadened and shifted toward a higher binding energy with increasing thickness of the interfacial SiO 2 layer, even though photoelectrons may have been emitted from the HfO 2 layer with the same chemical composition. Thinning the interfacial Si oxide layer to approximately one monolayer and depositing a metal layer on the HfO 2 surface suppressed these phenomena. The O 1s photoelectron spectra revealed marked differences between the metal- and nonmetal-deposited HfO 2 /SiO 2 /Si structures; HfO 2 and SiO 2 components in the O 1s photoelectron spectra for the metal-deposited structures were observed at reasonably separated binding energies, but those for the nonmetal-deposited structures were not separated clearly. From this behavior concerning the effects of interfacial SiO 2 and surface metal layers, we concluded that the Hf 4f, Hf 3d, and O 1s spectra measured from the HfO 2 /SiO 2 /Si structures did not reflect actual chemical bonding states. We consider that potential variations in the HfO 2 film owing to charge trapping strongly affect the measured photoelectron spectra. On the basis of angle-resolved XPS measurements, we propose that positive charges are trapped at the HfO 2 surface and negative charges are trapped inside the HfO 2 layer. (author)

  17. Manipulation of charge carrier injection into organic field-effect transistors by self-assembled monolayers of alkanethiols

    NARCIS (Netherlands)

    Asadi, Kamal; Gholamrezaie, Fatemeh; Smits, Edsger C. P.; Blom, Paul W. M.; de Boer, Bert

    2007-01-01

    Charge carrier injection into two semiconducting polymers is investigated in field-effect transistors using gold source and drain electrodes that are modified by self-assembled monolayers of alkanethiols and perfluorinated alkanethiols. The presence of an interfacial dipole associated with the

  18. Suppression of interfacial reactions between Li4Ti5O12 electrode and electrolyte solution via zinc oxide coating

    International Nuclear Information System (INIS)

    Han, Cuiping; He, Yan-Bing; Li, Hongfei; Li, Baohua; Du, Hongda; Qin, Xianying; Kang, Feiyu

    2015-01-01

    Graphical abstract: The Li 4 Ti 5 O 12 (LTO) based batteries have severe gassing behavior due to the strong interfacial reactions between LTO and the electrolyte solution, which hampers the practical application of LTO in high power LIBs. The ZnO coating on LTO particles as a barrier layer can effectively suppress the interfacial reactions between LTO and the electrolyte solution. Simultaneously, the ZnO coating significantly reduces the charge-transfer resistance and increases the lithium ion diffusion coefficient, which leads to great improvement of rate and cyclic performance of LTO electrode. - Highlights: • A ZnO coating layer was constructed on the LTO particles by a chemical process as a barrier layer between LTO and surrounding electrolyte solution. • The ZnO coating can effectively stabilize the electrode/electrolyte interface and suppress interfacial reactions between LTO and electrolyte solution. • The ZnO coating can improve the electronic conductivity and lithium ion diffusion coefficient, which contributes to a great improvement in cyclic and high rate capabilities of LTO electrode. • The ZnO coating on LTO may be an effective method to solve the gassing behavior of LTO based battery and promote its wide application in lithium ion power battery. - Abstract: Li 4 Ti 5 O 12 (LTO) based batteries have severe gassing behavior during charge/discharge and storage process. The interfacial reactions between LTO and electrolyte solution may be the main reason. In this work, the LTO spinel particles are modified with ZnO coating using a chemical process to reduce the surface reactivity of LTO particles. Results show that the ZnO coating can effectively stabilize the electrode/electrolyte interface and suppress the formation of a solid electrolyte interface (SEI) film. Simultaneously, this ZnO modification can improve the electronic conductivity and lithium ion diffusion coefficient, which contributes to a great improvement in cyclic and high rate

  19. An Implementation of Interfacial Transport Equation into the CUPID code

    Energy Technology Data Exchange (ETDEWEB)

    Park, Ik Kyu; Cho, Heong Kyu; Yoon, Han Young; Jeong, Jae Jun

    2009-11-15

    A component scale thermal hydraulic analysis code, CUPID (Component Unstructured Program for Interfacial Dynamics), is being developed for the analysis of components for a nuclear reactor, such as reactor vessel, steam generator, containment, etc. It adopted a three-dimensional, transient, two phase and three-field model. In order to develop the numerical schemes for the three-field model, various numerical schemes have been examined including the SMAS, semi-implicit ICE, SIMPLE. The governing equations for a 2-phase flow are composed of mass, momentum, and energy conservation equations for each phase. These equation sets are closed by the interfacial transfer rate of mass, momentum, and energy. The interfacial transfer of mass, momentum, and energy occurs through the interfacial area, and this area plays an important role in the transfer rate. The flow regime based correlations are used for calculating the interracial area in the traditional style 2-phase flow model. This is dependent upon the flow regime and is limited to the fully developed 2-phase flow region. Its application to the multi-dimensional 2-phase flow has some limitation because it adopts the measured results of 2-phase flow in the 1-dimensional tube. The interfacial area concentration transport equation had been suggested in order to calculate the interfacial area without the interfacial area correlations. The source terms to close the interfacial area transport equation should be further developed for a wide ranger usage of it. In this study, the one group interfacial area concentration transport equation has been implemented into the CUPID code. This interfacial area concentration transport equation can be used instead of the interfacial area concentration correlations for the bubbly flow region.

  20. An Implementation of Interfacial Transport Equation into the CUPID code

    International Nuclear Information System (INIS)

    Park, Ik Kyu; Cho, Heong Kyu; Yoon, Han Young; Jeong, Jae Jun

    2009-11-01

    A component scale thermal hydraulic analysis code, CUPID (Component Unstructured Program for Interfacial Dynamics), is being developed for the analysis of components for a nuclear reactor, such as reactor vessel, steam generator, containment, etc. It adopted a three-dimensional, transient, two phase and three-field model. In order to develop the numerical schemes for the three-field model, various numerical schemes have been examined including the SMAS, semi-implicit ICE, SIMPLE. The governing equations for a 2-phase flow are composed of mass, momentum, and energy conservation equations for each phase. These equation sets are closed by the interfacial transfer rate of mass, momentum, and energy. The interfacial transfer of mass, momentum, and energy occurs through the interfacial area, and this area plays an important role in the transfer rate. The flow regime based correlations are used for calculating the interracial area in the traditional style 2-phase flow model. This is dependent upon the flow regime and is limited to the fully developed 2-phase flow region. Its application to the multi-dimensional 2-phase flow has some limitation because it adopts the measured results of 2-phase flow in the 1-dimensional tube. The interfacial area concentration transport equation had been suggested in order to calculate the interfacial area without the interfacial area correlations. The source terms to close the interfacial area transport equation should be further developed for a wide ranger usage of it. In this study, the one group interfacial area concentration transport equation has been implemented into the CUPID code. This interfacial area concentration transport equation can be used instead of the interfacial area concentration correlations for the bubbly flow region

  1. 47 CFR 32.4341 - Net deferred tax liability adjustments.

    Science.gov (United States)

    2010-10-01

    ... income tax charges and credits pertaining to Account 32.4361, Deferred tax regulatory adjustments—net. (b... be recorded in Account 4361 as required by paragraph (a) of this section. (3) The tax effects of... UNIFORM SYSTEM OF ACCOUNTS FOR TELECOMMUNICATIONS COMPANIES Instructions for Balance Sheet Accounts § 32...

  2. Single-Molecule Interfacial Electron Transfer

    Energy Technology Data Exchange (ETDEWEB)

    Ho, Wilson [Univ. of California, Irvine, CA (United States)

    2018-02-03

    Interfacial electron transfer (ET) plays an important role in many chemical and biological processes. Specifically, interfacial ET in TiO2-based systems is important to solar energy technology, catalysis, and environmental remediation technology. However, the microscopic mechanism of interfacial ET is not well understood with regard to atomic surface structure, molecular structure, bonding, orientation, and motion. In this project, we used two complementary methodologies; single-molecule fluorescence spectroscopy, and scanning-tunneling microscopy and spectroscopy (STM and STS) to address this scientific need. The goal of this project was to integrate these techniques and measure the molecular dependence of ET between adsorbed molecules and TiO2 semiconductor surfaces and the ET induced reactions such as the splitting of water. The scanning probe techniques, STM and STS, are capable of providing the highest spatial resolution but not easily time-resolved data. Single-molecule fluorescence spectroscopy is capable of good time resolution but requires further development to match the spatial resolution of the STM. The integrated approach involving Peter Lu at Bowling Green State University (BGSU) and Wilson Ho at the University of California, Irvine (UC Irvine) produced methods for time and spatially resolved chemical imaging of interfacial electron transfer dynamics and photocatalytic reactions. An integral aspect of the joint research was a significant exchange of graduate students to work at the two institutions. This project bridged complementary approaches to investigate a set of common problems by working with the same molecules on a variety of solid surfaces, but using appropriate techniques to probe under ambient (BGSU) and ultrahigh vacuum (UCI) conditions. The molecular level understanding of the fundamental interfacial electron transfer processes obtained in this joint project will be important for developing efficient light harvesting

  3. Improvement in interfacial characteristics of low-voltage carbon nanotube thin-film transistors with solution-processed boron nitride thin films

    Energy Technology Data Exchange (ETDEWEB)

    Jeon, Jun-Young; Ha, Tae-Jun, E-mail: taejunha0604@gmail.com

    2017-08-15

    Highlights: • We demonstrate the potential of solution-processed boron nitride (BN) thin films for nanoelectronics. • Improved interfacial characteristics reduced the leakage current by three orders of magnitude. • The BN encapsulation improves all the device key metrics of low-voltage SWCNT-TFTs. • Such improvements were achieved by reduced interaction of interfacial localized states. - Abstract: In this article, we demonstrate the potential of solution-processed boron nitride (BN) thin films for high performance single-walled carbon nanotube thin-film transistors (SWCNT-TFTs) with low-voltage operation. The use of BN thin films between solution-processed high-k dielectric layers improved the interfacial characteristics of metal-insulator-metal devices, thereby reducing the current density by three orders of magnitude. We also investigated the origin of improved device performance in SWCNT-TFTs by employing solution-processed BN thin films as an encapsulation layer. The BN encapsulation layer improves the electrical characteristics of SWCNT-TFTs, which includes the device key metrics of linear field-effect mobility, sub-threshold swing, and threshold voltage as well as the long-term stability against the aging effect in air. Such improvements can be achieved by reduced interaction of interfacial localized states with charge carriers. We believe that this work can open up a promising route to demonstrate the potential of solution-processed BN thin films on nanoelectronics.

  4. Boost Up Carrier Mobility for Ferroelectric Organic Transistor Memory via Buffering Interfacial Polarization Fluctuation

    Science.gov (United States)

    Sun, Huabin; Wang, Qijing; Li, Yun; Lin, Yen-Fu; Wang, Yu; Yin, Yao; Xu, Yong; Liu, Chuan; Tsukagoshi, Kazuhito; Pan, Lijia; Wang, Xizhang; Hu, Zheng; Shi, Yi

    2014-11-01

    Ferroelectric organic field-effect transistors (Fe-OFETs) have been attractive for a variety of non-volatile memory device applications. One of the critical issues of Fe-OFETs is the improvement of carrier mobility in semiconducting channels. In this article, we propose a novel interfacial buffering method that inserts an ultrathin poly(methyl methacrylate) (PMMA) between ferroelectric polymer and organic semiconductor layers. A high field-effect mobility (μFET) up to 4.6 cm2 V-1 s-1 is obtained. Subsequently, the programming process in our Fe-OFETs is mainly dominated by the switching between two ferroelectric polarizations rather than by the mobility-determined charge accumulation at the channel. Thus, the ``reading'' and ``programming'' speeds are significantly improved. Investigations show that the polarization fluctuation at semiconductor/insulator interfaces, which affect the charge transport in conducting channels, can be suppressed effectively using our method.

  5. Effect of Compatibilization on Interfacial Polarization and Intrinsic Length Scales in Biphasic Polymer Blends of PαMSAN and PMMA : A Combined Experimental and Modeling Dielectric Study

    NARCIS (Netherlands)

    Bharati, A.; Wübbenhorst, M.; Moldenaers, Paula; Cardinaels, Ruth

    2016-01-01

    We describe an approach to tailor the dielectric interfacial properties of polymer blends by the interplay of compatibilizer effects on blend morphology and on blocking of charge carriers. A systematic study of the effect of the concentration of the compatibilizer, a random copolymer of

  6. Induced-Charge Enhancement of the Diffusion Potential in Membranes with Polarizable Nanopores.

    Science.gov (United States)

    Ryzhkov, I I; Lebedev, D V; Solodovnichenko, V S; Shiverskiy, A V; Simunin, M M

    2017-12-01

    When a charged membrane separates two salt solutions of different concentrations, a potential difference appears due to interfacial Donnan equilibrium and the diffusion junction. Here, we report a new mechanism for the generation of a membrane potential in polarizable conductive membranes via an induced surface charge. It results from an electric field generated by the diffusion of ions with different mobilities. For uncharged membranes, this effect strongly enhances the diffusion potential and makes it highly sensitive to the ion mobilities ratio, electrolyte concentration, and pore size. Theoretical predictions on the basis of the space-charge model extended to polarizable nanopores fully agree with experimental measurements in KCl and NaCl aqueous solutions.

  7. The influence of interfacial properties on two-phase liquid flow of organic contaminants in groundwater

    International Nuclear Information System (INIS)

    Hayes, K.F.; Demond, A.H.

    1991-09-01

    The purpose of this project is to investigate how changes in interfacial chemical properties affect two-phase transport relationships. Specifically, the objective is to develop a quantitative means that will enable the prediction of changes in the capillary pressure-saturation relationship, a fundamental constitutive relationship in multiphase flow, from changes in interfacial properties, such as adsorption and electrophoretic mobility, through a knowledge of their effect on wettability. The information presented here summarizes the progress we have made in the past eight months of the second project period. Working with a system composed of air-water-silica-cetyltrimethylammonium bromide (CTAB), we have obtained a relationship between degree of adsorption and the surface charge of silica (as measured by electrophoretic mobility), and the drainage and imbibition capillary pressure relationships of system. The bulk of this report describes the completed set of measurements for the air-water-silica-CTAB system at pH 6. We are currently working on a comparable set of measurements for the xylene-water-silica-CTAB system at pH 6. Described here are the interfacial tension, contact angle and preliminary drainage capillary pressure measurements. Our work to date shows a dependence of surface properties on pH. Consequently, in the coming year, we will also complete a set of measurements at another pH value to show the effect of pH on capillary pressure relationships

  8. Models of charge pair generation in organic solar cells.

    Science.gov (United States)

    Few, Sheridan; Frost, Jarvist M; Nelson, Jenny

    2015-01-28

    Efficient charge pair generation is observed in many organic photovoltaic (OPV) heterojunctions, despite nominal electron-hole binding energies which greatly exceed the average thermal energy. Empirically, the efficiency of this process appears to be related to the choice of donor and acceptor materials, the resulting sequence of excited state energy levels and the structure of the interface. In order to establish a suitable physical model for the process, a range of different theoretical studies have addressed the nature and energies of the interfacial states, the energetic profile close to the heterojunction and the dynamics of excited state transitions. In this paper, we review recent developments underpinning the theory of charge pair generation and phenomena, focussing on electronic structure calculations, electrostatic models and approaches to excited state dynamics. We discuss the remaining challenges in achieving a predictive approach to charge generation efficiency.

  9. Two-Dimensional Layered Oxide Structures Tailored by Self-Assembled Layer Stacking via Interfacial Strain.

    Science.gov (United States)

    Zhang, Wenrui; Li, Mingtao; Chen, Aiping; Li, Leigang; Zhu, Yuanyuan; Xia, Zhenhai; Lu, Ping; Boullay, Philippe; Wu, Lijun; Zhu, Yimei; MacManus-Driscoll, Judith L; Jia, Quanxi; Zhou, Honghui; Narayan, Jagdish; Zhang, Xinghang; Wang, Haiyan

    2016-07-06

    Study of layered complex oxides emerge as one of leading topics in fundamental materials science because of the strong interplay among intrinsic charge, spin, orbital, and lattice. As a fundamental basis of heteroepitaxial thin film growth, interfacial strain can be used to design materials that exhibit new phenomena beyond their conventional forms. Here, we report a strain-driven self-assembly of bismuth-based supercell (SC) with a two-dimensional (2D) layered structure. With combined experimental analysis and first-principles calculations, we investigated the full SC structure and elucidated the fundamental growth mechanism achieved by the strain-enabled self-assembled atomic layer stacking. The unique SC structure exhibits room-temperature ferroelectricity, enhanced magnetic responses, and a distinct optical bandgap from the conventional double perovskite structure. This study reveals the important role of interfacial strain modulation and atomic rearrangement in self-assembling a layered singe-phase multiferroic thin film, which opens up a promising avenue in the search for and design of novel 2D layered complex oxides with enormous promise.

  10. Mean free path dependent phonon contributions to interfacial thermal conductance

    Energy Technology Data Exchange (ETDEWEB)

    Tao, Yi; Liu, Chenhan; Chen, Weiyu; Cai, Shuang; Chen, Chen; Wei, Zhiyong; Bi, Kedong; Yang, Juekuan; Chen, Yunfei, E-mail: yunfeichen@seu.edu.cn

    2017-06-15

    Interfacial thermal conductance as an accumulation function of the phonon mean free path is rigorously derived from the thermal conductivity accumulation function. Based on our theoretical model, the interfacial thermal conductance accumulation function between Si/Ge is calculated. The results show that the range of mean free paths (MFPs) for phonons contributing to the interfacial thermal conductance is far narrower than that for phonons contributing to the thermal conductivity. The interfacial thermal conductance is mainly contributed by phonons with shorter MFPs, and the size effects can be observed only for an interface constructed by nanostructures with film thicknesses smaller than the MFPs of those phonons mainly contributing to the interfacial thermal conductance. This is why most experimental measurements cannot detect size effects on interfacial thermal conductance. A molecular dynamics simulation is employed to verify our proposed model. - Highlights: • A model to account for the interfacial thermal conductance as an accumulation function of phonon mean free path is proposed; • The model predicts that the range of mean free paths (MFPs) for phonons contributing to the interfacial thermal conductance is far narrower than that contributing to the thermal conductivity; • This model can be conveniently implemented to estimate the size effects on the interfacial thermal conductance for the interfaces formed by a nanostructure contacting a substrate.

  11. The impact of Au doping on the charge carrier dynamics at the interfaces between cationic porphyrin and silver nanoclusters

    KAUST Repository

    Almansaf, Abdulkhaleq A.

    2017-02-04

    We explore the impact of Au doping on the charge transfer dynamics between the positively charged porphyrin (TMPyP) and negatively charged silver nanoclusters (Ag29 NCs). Our transient absorption (TA) spectroscopic results demonstrate that the interfacial charge transfer, the intersystem crossing and the triplet state lifetime of porphyrin can be tuned by the doping of Au atoms in Ag29 NCs. Additionally, we found that the electrostatic interaction between the negative charge of the cluster and the positive charge on the TMPyP is the driving force that brings them close to each other for complex formation and subsequently facilitates the transfer process.

  12. The impact of Au doping on the charge carrier dynamics at the interfaces between cationic porphyrin and silver nanoclusters

    KAUST Repository

    Almansaf, Abdulkhaleq A.; Parida, Manas R.; Besong, Tabot M.D.; Maity, Partha; Bootharaju, Megalamane Siddaramappa; Bakr, Osman; Mohammed, Omar F.

    2017-01-01

    We explore the impact of Au doping on the charge transfer dynamics between the positively charged porphyrin (TMPyP) and negatively charged silver nanoclusters (Ag29 NCs). Our transient absorption (TA) spectroscopic results demonstrate that the interfacial charge transfer, the intersystem crossing and the triplet state lifetime of porphyrin can be tuned by the doping of Au atoms in Ag29 NCs. Additionally, we found that the electrostatic interaction between the negative charge of the cluster and the positive charge on the TMPyP is the driving force that brings them close to each other for complex formation and subsequently facilitates the transfer process.

  13. New insights into the interface between a single-crystalline metal electrode and an extremely pure ionic liquid: slow interfacial processes and the influence of temperature on interfacial dynamics.

    Science.gov (United States)

    Drüschler, Marcel; Borisenko, Natalia; Wallauer, Jens; Winter, Christian; Huber, Benedikt; Endres, Frank; Roling, Bernhard

    2012-04-21

    Ionic liquids are of high interest for the development of safe electrolytes in modern electrochemical cells, such as batteries, supercapacitors and dye-sensitised solar cells. However, electrochemical applications of ionic liquids are still hindered by the limited understanding of the interface between electrode materials and ionic liquids. In this article, we first review the state of the art in both experiment and theory. Then we illustrate some general trends by taking the interface between the extremely pure ionic liquid 1-butyl-1-methylpyrrolidinium tris(pentafluoroethyl)trifluorophosphate and an Au(111) electrode as an example. For the study of this interface, electrochemical impedance spectroscopy was combined with in situ STM and in situ AFM techniques. In addition, we present new results for the temperature dependence of the interfacial capacitance and dynamics. Since the interfacial dynamics are characterised by different processes taking place on different time scales, the temperature dependence of the dynamics can only be reliably studied by recording and carefully analysing broadband capacitance spectra. Single-frequency experiments may lead to artefacts in the temperature dependence of the interfacial capacitance. We demonstrate that the fast capacitive process exhibits a Vogel-Fulcher-Tamman temperature dependence, since its time scale is governed by the ionic conductivity of the ionic liquid. In contrast, the slower capacitive process appears to be Arrhenius activated. This suggests that the time scale of this process is determined by a temperature-independent barrier, which may be related to structural reorganisations of the Au surface and/or to charge redistributions in the strongly bound innermost ion layer. This journal is © the Owner Societies 2012

  14. A distributed charge storage with GeO2 nanodots

    International Nuclear Information System (INIS)

    Chang, T.C.; Yan, S.T.; Hsu, C.H.; Tang, M.T.; Lee, J.F.; Tai, Y.H.; Liu, P.T.; Sze, S.M.

    2004-01-01

    In this study, a distributed charge storage with GeO 2 nanodots is demonstrated. The mean size and aerial density of the nanodots embedded in SiO 2 are estimated to be about 5.5 nm and 4.3x10 11 cm -2 , respectively. The composition of the dots is also confirmed to be GeO 2 by x-ray absorption near-edge structure analyses. A significant memory effect is observed through the electrical measurements. Under the low voltage operation of 5 V, the memory window is estimated to ∼0.45 V. Also, a physical model is proposed to demonstrate the charge storage effect through the interfacial traps of GeO 2 nanodots

  15. Development of interfacial area transport equation

    International Nuclear Information System (INIS)

    Kim, Seung Jin; Ishii, Mamoru; Kelly, Joseph

    2005-01-01

    The interfacial area transport equation dynamically models the changes in interfacial structures along the flow field by mechanistically modeling the creation and destruction of dispersed phase. Hence, when employed in the numerical thermal-hydraulic system analysis codes, it eliminates artificial bifurcations stemming from the use of the static flow regime transition criteria. Accounting for the substantial differences in the transport mechanism for various sizes of bubbles, the transport equation is formulated for two characteristic groups of bubbles. The group 1 equation describes the transport of small-dispersed bubbles, whereas the group 2 equation describes the transport of large cap, slug or churn-turbulent bubbles. To evaluate the feasibility and reliability of interfacial area transport equation available at present, it is benchmarked by an extensive database established in various two-phase flow configurations spanning from bubbly to churn-turbulent flow regimes. The geometrical effect in interfacial area transport is examined by the data acquired in vertical air-water two-phase flow through round pipes of various sizes and a confined flow duct, and by those acquired in vertical co-current downward air-water two-phase flow through round pipes of two different sizes

  16. Modeling and measurement of interfacial area concentration in two-phase flow

    International Nuclear Information System (INIS)

    Paranjape, Sidharth; Ishii, Mamoru; Hibiki, Takashi

    2010-01-01

    This paper presents experimental and modeling approaches in characterizing interfacial structures in gas-liquid two-phase flow. For the modeling of the interfacial structure characterization, the interfacial area transport equation proposed earlier has been studied to provide a dynamic and mechanistic prediction tool for two-phase flow analysis. A state-of-the-art four-sensor conductivity probe technique has been developed to obtain detailed local interfacial structure information in a wide range of flow regimes spanning from bubbly to churn-turbulent flows. Newly obtained interfacial area data in 8 x 8 rod-bundle test section are also presented. This paper also reviews available models of the interfacial area sink and source terms and existing databases. The interfacial area transport equation has been benchmarked using condensation bubbly flow data.

  17. The Dual Role of Disorder on the Dissociation of Interfacial Charge Transfer Excitons

    Science.gov (United States)

    Shi, Liang; Lee, Chee-Kong; Willard, Adam

    In organic-based photovoltaics (OPV), dissociation of neutral photo-excitations (i.e., Frenkel excitons) into free charge carriers requires the excitons to overcome binding energy that can significantly exceed thermal energies. The inability of bound charges to overcome this large binding energy has been implicated as a primary source of efficiency loss in OPVs. Despite the potential impact on the performance of organic solar cells much remains to be understood about the microscopic mechanism of exciton dissociation in OPV materials. Here we explore the role of static molecular disorder in mediating this charge dissociation process. Using a simple lattice model of exciton dynamics we demonstrate that random spatial variations in the energetic landscape can mitigate the effects of the exciton binding energy by lowering the free energy barrier. By considering the competition between this thermodynamic effect and the disorder-induced slowing of dissociation kinetics we demonstrate that exciton dissociation yields are expected to depend non-monotonically on the degree of static disorder. We conclude that a certain amount of molecular-scale disorder is desirable in order to optimize the performance of organic photovoltaic materials.

  18. Uncertainty analysis of an interfacial area reconstruction algorithm and its application to two group interfacial area transport equation validation

    International Nuclear Information System (INIS)

    Dave, A.J.; Manera, A.; Beyer, M.; Lucas, D.; Prasser, H.-M.

    2016-01-01

    Wire mesh sensors (WMS) are state of the art devices that allow high resolution (in space and time) measurement of 2D void fraction distribution over a wide range of two-phase flow regimes, from bubbly to annular. Data using WMS have been recorded at the Helmholtz-Zentrum Dresden-Rossendorf (HZDR) (Lucas et al., 2010; Beyer et al., 2008; Prasser et al., 2003) for a wide combination of superficial gas and liquid velocities, providing an excellent database for advances in two-phase flow modeling. In two-phase flow, the interfacial area plays an integral role in coupling the mass, momentum and energy transport equations of the liquid and gas phase. While current models used in best-estimate thermal-hydraulic codes (e.g. RELAP5, TRACE, TRACG, etc.) are still based on algebraic correlations for the estimation of the interfacial area in different flow regimes, interfacial area transport equations (IATE) have been proposed to predict the dynamic propagation in space and time of interfacial area (Ishii and Hibiki, 2010). IATE models are still under development and the HZDR WMS experimental data provide an excellent basis for the validation and further advance of these models. The current paper is focused on the uncertainty analysis of algorithms used to reconstruct interfacial area densities from the void-fraction voxel data measured using WMS and their application towards validation efforts of two-group IATE models. In previous research efforts, a surface triangularization algorithm has been developed in order to estimate the surface area of individual bubbles recorded with the WMS, and estimate the interfacial area in the given flow condition. In the present paper, synthetically generated bubbles are used to assess the algorithm’s accuracy. As the interfacial area of the synthetic bubbles are defined by user inputs, the error introduced by the algorithm can be quantitatively obtained. The accuracy of interfacial area measurements is characterized for different bubbles

  19. Uncertainty analysis of an interfacial area reconstruction algorithm and its application to two group interfacial area transport equation validation

    Energy Technology Data Exchange (ETDEWEB)

    Dave, A.J., E-mail: akshayjd@umich.edu [Department of Nuclear Engineering and Rad. Sciences, University of Michigan, Ann Arbor, MI 48105 (United States); Manera, A. [Department of Nuclear Engineering and Rad. Sciences, University of Michigan, Ann Arbor, MI 48105 (United States); Beyer, M.; Lucas, D. [Helmholtz-Zentrum Dresden-Rossendorf, Institute of Fluid Dynamics, 01314 Dresden (Germany); Prasser, H.-M. [Department of Mechanical and Process Engineering, ETH Zurich, 8092 Zurich (Switzerland)

    2016-12-15

    Wire mesh sensors (WMS) are state of the art devices that allow high resolution (in space and time) measurement of 2D void fraction distribution over a wide range of two-phase flow regimes, from bubbly to annular. Data using WMS have been recorded at the Helmholtz-Zentrum Dresden-Rossendorf (HZDR) (Lucas et al., 2010; Beyer et al., 2008; Prasser et al., 2003) for a wide combination of superficial gas and liquid velocities, providing an excellent database for advances in two-phase flow modeling. In two-phase flow, the interfacial area plays an integral role in coupling the mass, momentum and energy transport equations of the liquid and gas phase. While current models used in best-estimate thermal-hydraulic codes (e.g. RELAP5, TRACE, TRACG, etc.) are still based on algebraic correlations for the estimation of the interfacial area in different flow regimes, interfacial area transport equations (IATE) have been proposed to predict the dynamic propagation in space and time of interfacial area (Ishii and Hibiki, 2010). IATE models are still under development and the HZDR WMS experimental data provide an excellent basis for the validation and further advance of these models. The current paper is focused on the uncertainty analysis of algorithms used to reconstruct interfacial area densities from the void-fraction voxel data measured using WMS and their application towards validation efforts of two-group IATE models. In previous research efforts, a surface triangularization algorithm has been developed in order to estimate the surface area of individual bubbles recorded with the WMS, and estimate the interfacial area in the given flow condition. In the present paper, synthetically generated bubbles are used to assess the algorithm’s accuracy. As the interfacial area of the synthetic bubbles are defined by user inputs, the error introduced by the algorithm can be quantitatively obtained. The accuracy of interfacial area measurements is characterized for different bubbles

  20. Connection of spin and statistics for charge--monopole composites

    International Nuclear Information System (INIS)

    Goldhaber, A.S.

    1976-01-01

    An object composed of a spinless electrically charged particle and a spinless magnetically charged particle may bear net half-integer spin, but the wave function of two such clusters must be symmetric under their interchange. Nevertheless, a careful study of the relative motion of the clusters shows that this symmetry condition implies the usual connection between spin and statistics

  1. Interfacial symmetry of Co–Alq_3–Co hybrid structures for effective spin filtering

    International Nuclear Information System (INIS)

    Lam, Tu-Ngoc; Lai, Yu-Ling; Chen, Chih-Han; Chen, Po-Hung; Wei, Der-Hsin; Lin, Hong-Ji; Chen, C.T.; Sheu, Jeng-Tzong; Hsu, Yao-Jane

    2015-01-01

    Graphical abstract: - Highlights: • The spin interface at Alq_3/Co and Co/Alq_3 contacts was examined. • An interfacial symmetry was determined at Co–Alq_3–Co interfaces. • Spin-polarized N orbitals are induced within the Co atop Alq_3 hybridized interface. • The spin-filter role at the top contact interface of Alq_3/Co is proved. • Effective spin-filtering at Co–Alq_3–Co contacts was elucidated. - Abstract: Understanding the interfacial behavior at FM-OSC-FM hybrid structures for both the bottom contact (Alq_3 adsorption on Co, Co/Alq_3) and the top contact (Co atop Alq_3, Alq_3/Co) is crucial for efficient spin filtering with transport of spin-polarized charge carriers through these interfaces. X-ray photoelectron spectroscopy (XPS) spectra indicate a symmetry of charge transfer from Co to Alq_3 and the corresponding orbital hybridization to a certain extent at both contacts. The alignment of energy levels at both Alq_3/Co and Co/Alq_3 heterostructures is depicted with ultraviolet photoelectron spectroscopy (UPS). Through magnetic images acquired with a X-ray photoemission electron microscope (XPEEM), the strong hybridization of the top contact presents no micromagnetic domain but still shows magnetic coupling, to some extent, to the bottom contact in the Co–Alq_3–Co trilayer structure. Measurements of X-ray magnetic circular dichroism (XMCD) demonstrate the induced spin-polarization of non-magnetic Alq_3 at both contacts, proving Alq_3 a unique and promising organic material for spin filtering in OSV.

  2. Role of interfacial rheological properties in oil field chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Lakatos-Szabo, J.; Lakatos, I.; Kosztin, B.

    1996-12-31

    Interfacial rheological properties of different Hungarian crude oil/water systems were determined in wide temperature and shear rate range and in presence of inorganic electrolytes, tensides, alkaline materials and polymers. The detailed laboratory study definitely proved that the interfacial rheological properties are extremely sensitive parameters towards the chemical composition of inmiscible formation liquids. Comparison and interpretation of the interfacial rheological properties may contribute significantly to extension of the weaponry of the reservoir characterization, better understanding of the displacement mechanism, development of the more profitable EOR/IOR methods, intensification of the surface technologies, optimization of the pipeline transportation and improvement of the refinery operations. It was evidenced that the interfacial rheology is an efficient and powerful detection technique, which may enhance the knowledge on formation, structure, properties and behaviour of interfacial layers. 17 refs., 18 figs., 2 tabs.

  3. Evaporation and discharge dynamics of highly charged multicomponent droplets generated by electrospray ionization.

    Science.gov (United States)

    Grimm, Ronald L; Beauchamp, J L

    2010-01-28

    We investigate the Rayleigh discharge and evaporation dynamics of highly charged two-component droplets consisting principally of methanol with 2-methoxyethanol, tert-butanol, or m-nitrobenzyl alcohol. A phase Doppler anemometer (PDA) characterizes droplets generated by electrospray ionization (ESI) according to size, velocity, and charge as they move through a uniform electric field within an ion mobility spectrometer (IMS). Repeated field reversals result in droplet "ping-pong" through the PDA. This generates individual droplet histories of solvent evaporation behavior and the dynamics of charge loss to progeny droplets during Rayleigh discharge events. On average, methanol droplets discharge at 127% their Rayleigh limit of charge, q(R), and release 25% of the net charge. Charge loss from methanol/2-methoxyethanol droplets behaves similarly to pure 2-methoxyethanol droplets which release approximately 28% of their net charge. Binary methanol droplets containing up to 50% tert-butanol discharge at a lower percent q(R) than pure methanol and release a greater fraction of their net charge. Mixed 99% methanol/1% m-nitrobenzyl alcohol droplets possess discharge characteristics similar to those of methanol. However, droplets of methanol containing 2% m-nitrobenzyl evaporate down to a fixed size and charge that remains constant with no observable discharges. Quasi-steady-state evaporation models accurately describe observed evaporation phenomena in which methanol/tert-butanol droplets evaporate at a rate similar to that of pure methanol and methanol/2-methoxyethanol droplets evaporate at a rate similar to that of 2-methoxyethanol. We compare these results to previous Rayleigh discharge experiments and discuss the implications for binary solvents in electrospray mass spectrometry (ESI-MS) and field-induced droplet ionization mass spectrometry (FIDI-MS).

  4. Density functional theory for the description of charge-transfer processes at TTF/TCNQ interfaces

    KAUST Repository

    Van Regemorter, Tanguy; Guillaume, Maxime; Sini, Gjergji; Sears, John S.; Geskin, Victor; Bré das, Jean-Luc; Beljonne, David; Cornil, Jé rô me

    2012-01-01

    In the field of organic electronics, a central issue is to assess how the frontier electronic levels of two adjacent organic layers align with respect to one another at the interface. This alignment can be driven by the presence of a partial charge transfer and the formation of an interface dipole; it plays a key role for instance in determining the rates of exciton dissociation or exciton formation in organic solar cells or light-emitting diodes, respectively. Reliably modeling the processes taking place at these interfaces remains a challenge for the computational chemistry community. Here, we review our recent theoretical work on the influence of the choice of density functional theory (DFT) methodology on the description of the charge-transfer character in the ground state of TTF/ TCNQ model complexes and interfaces. Starting with the electronic properties of the isolated TTF and TCNQ molecules and then considering the charge transfer and resulting interface dipole in TTF/TCNQ donor-acceptor stacks and bilayers, we examine the impact of the choice of DFT functional in describing the interfacial electronic structure. Finally, we employ computations based on periodic boundary conditions to highlight the impact of depolarization effects on the interfacial dipole moment. © Springer-Verlag 2012.

  5. Overcoming the Cut-Off Charge Transfer Bandgaps at the PbS Quantum Dot Interface

    KAUST Repository

    El-Ballouli, Ala'a O.

    2015-11-17

    Light harvesting from large size of semiconductor PbS quantum dots (QDs) with a bandgap of less than 1 eV is one of the greatest challenges precluding the development of PbS QD-based solar cells because the interfacial charge transfer (CT) from such QDs to the most commonly used electron acceptor materials is very inefficient, if it occurs at all. Thus, an alternative electron-accepting unit with a new driving force for CT is urgently needed to harvest the light from large-sized PbS QDs. Here, a cationic porphyrin is utilized as a new electron acceptor unit with unique features that bring the donor–acceptor components into close molecular proximity, allowing ultrafast and efficient electron transfer for QDs of all sizes, as inferred from the drastic photoluminescence quenching and the ultrafast formation of the porphyrin anionic species. The time-resolved results clearly demonstrate the possibility of modulating the electron transfer process between PbS QDs and porphyrin moieties not only by the size quantization effect but also by the interfacial electrostatic interaction between the positively charged porphyrin and the negatively charged QDs. This approach provides a new pathway for engineering QD-based solar cells that make the best use of the diverse photons making up the Sun\\'s broad irradiance spectrum.

  6. Density functional theory for the description of charge-transfer processes at TTF/TCNQ interfaces

    KAUST Repository

    Van Regemorter, Tanguy

    2012-09-15

    In the field of organic electronics, a central issue is to assess how the frontier electronic levels of two adjacent organic layers align with respect to one another at the interface. This alignment can be driven by the presence of a partial charge transfer and the formation of an interface dipole; it plays a key role for instance in determining the rates of exciton dissociation or exciton formation in organic solar cells or light-emitting diodes, respectively. Reliably modeling the processes taking place at these interfaces remains a challenge for the computational chemistry community. Here, we review our recent theoretical work on the influence of the choice of density functional theory (DFT) methodology on the description of the charge-transfer character in the ground state of TTF/ TCNQ model complexes and interfaces. Starting with the electronic properties of the isolated TTF and TCNQ molecules and then considering the charge transfer and resulting interface dipole in TTF/TCNQ donor-acceptor stacks and bilayers, we examine the impact of the choice of DFT functional in describing the interfacial electronic structure. Finally, we employ computations based on periodic boundary conditions to highlight the impact of depolarization effects on the interfacial dipole moment. © Springer-Verlag 2012.

  7. Overcoming the Cut-Off Charge Transfer Bandgaps at the PbS Quantum Dot Interface

    KAUST Repository

    El-Ballouli, Ala'a O.; Alarousu, Erkki; Kirmani, Ahmad R.; Amassian, Aram; Bakr, Osman; Mohammed, Omar F.

    2015-01-01

    Light harvesting from large size of semiconductor PbS quantum dots (QDs) with a bandgap of less than 1 eV is one of the greatest challenges precluding the development of PbS QD-based solar cells because the interfacial charge transfer (CT) from such QDs to the most commonly used electron acceptor materials is very inefficient, if it occurs at all. Thus, an alternative electron-accepting unit with a new driving force for CT is urgently needed to harvest the light from large-sized PbS QDs. Here, a cationic porphyrin is utilized as a new electron acceptor unit with unique features that bring the donor–acceptor components into close molecular proximity, allowing ultrafast and efficient electron transfer for QDs of all sizes, as inferred from the drastic photoluminescence quenching and the ultrafast formation of the porphyrin anionic species. The time-resolved results clearly demonstrate the possibility of modulating the electron transfer process between PbS QDs and porphyrin moieties not only by the size quantization effect but also by the interfacial electrostatic interaction between the positively charged porphyrin and the negatively charged QDs. This approach provides a new pathway for engineering QD-based solar cells that make the best use of the diverse photons making up the Sun's broad irradiance spectrum.

  8. Bulk and interfacial structures of reline deep eutectic solvent: A molecular dynamics study.

    Science.gov (United States)

    Kaur, Supreet; Sharma, Shobha; Kashyap, Hemant K

    2017-11-21

    We apply all-atom molecular dynamics simulations to describe the bulk morphology and interfacial structure of reline, a deep eutectic solvent comprising choline chloride and urea in 1:2 molar ratio, near neutral and charged graphene electrodes. For the bulk phase structural investigation, we analyze the simulated real-space radial distribution functions, X-ray/neutron scattering structure functions, and their partial components. Our study shows that both hydrogen-bonding and long-range correlations between different constituents of reline play a crucial role to lay out the bulk structure of reline. Further, we examine the variation of number density profiles, orientational order parameters, and electrostatic potentials near the neutral and charged graphene electrodes with varying electrode charge density. The present study reveals the presence of profound structural layering of not only the ionic components of reline but also urea near the electrodes. In addition, depending on the electrode charge density, the choline ions and urea molecules render different orientations near the electrodes. The simulated number density and electrostatic potential profiles for reline clearly show the presence of multilayer structures up to a distance of 1.2 nm from the respective electrodes. The observation of positive values of the surface potential at zero charge indicates the presence of significant nonelectrostatic attraction between the choline cation and graphene electrode. The computed differential capacitance (C d ) for reline exhibits an asymmetric bell-shaped curve, signifying different variation of C d with positive and negative surface potentials.

  9. Interfacial Energy and Fine Defect Structures for Incoherent Films

    OpenAIRE

    Cermelli, Paolo; Gurtin, Morton E.; Leoni, Giovanni

    1999-01-01

    This note summarizes recent results in which modern techniques of the calculus of variations are used to obtain qualitative features of film-substrate interfaces for a broad class of interfacial energies. In particular, we show that the existence of a critical thickness for incoherency and the formation of interfacial dislocations depend strongly on the convexity and smoothness of the interfacial energy function.

  10. Magnetism by interfacial hybridization and p-type doping of MoS(2) in Fe(4)N/MoS(2) superlattices: a first-principles study.

    Science.gov (United States)

    Feng, Nan; Mi, Wenbo; Cheng, Yingchun; Guo, Zaibing; Schwingenschlögl, Udo; Bai, Haili

    2014-03-26

    Magnetic and electronic properties of Fe4N(111)/MoS2(√3 × √3) superlattices are investigated by first-principles calculations, considering two models: (I) Fe(I)Fe(II)-S and (II) N-S interfaces, each with six stacking configurations. In model I, strong interfacial hybridization between Fe(I)/Fe(II) and S results in magnetism of monolayer MoS2, with a magnetic moment of 0.33 μB for Mo located on top of Fe(I). For model II, no magnetism is induced due to weak N-S interfacial bonding, and the semiconducting nature of monolayer MoS2 is preserved. Charge transfer between MoS2 and N results in p-type MoS2 with Schottky barrier heights of 0.5-0.6 eV. Our results demonstrate that the interfacial geometry and hybridization can be used to tune the magnetism and doping in Fe4N(111)/MoS2(√3 × √3) superlattices.

  11. Interfacial Thermal Transport via One-Dimensional Atomic Junction Model

    Directory of Open Access Journals (Sweden)

    Guohuan Xiong

    2018-03-01

    Full Text Available In modern information technology, as integration density increases rapidly and the dimension of materials reduces to nanoscale, interfacial thermal transport (ITT has attracted widespread attention of scientists. This review introduces the latest theoretical development in ITT through one-dimensional (1D atomic junction model to address the thermal transport across an interface. With full consideration of the atomic structures in interfaces, people can apply the 1D atomic junction model to investigate many properties of ITT, such as interfacial (Kapitza resistance, nonlinear interface, interfacial rectification, and phonon interference, and so on. For the ballistic ITT, both the scattering boundary method (SBM and the non-equilibrium Green’s function (NEGF method can be applied, which are exact since atomic details of actual interfaces are considered. For interfacial coupling case, explicit analytical expression of transmission coefficient can be obtained and it is found that the thermal conductance maximizes at certain interfacial coupling (harmonic mean of the spring constants of the two leads and the transmission coefficient is not a monotonic decreasing function of phonon frequency. With nonlinear interaction—phonon–phonon interaction or electron–phonon interaction at interface, the NEGF method provides an efficient way to study the ITT. It is found that at weak linear interfacial coupling, the nonlinearity can improve the ITT, but it depresses the ITT in the case of strong-linear coupling. In addition, the nonlinear interfacial coupling can induce thermal rectification effect. For interfacial materials case which can be simulated by a two-junction atomic chain, phonons show interference effect, and an optimized thermal coupler can be obtained by tuning its spring constant and atomic mass.

  12. Controlling Interfacial Separation in Porous Structures by Void Patterning

    Science.gov (United States)

    Ghareeb, Ahmed; Elbanna, Ahmed

    Manipulating interfacial response for enhanced adhesion or fracture resistance is a problem of great interest to scientists and engineers. In many natural materials and engineering applications, an interface exists between a porous structure and a substrate. A question that arises is how the void distribution in the bulk may affect the interfacial response and whether it is possible to alter the interfacial toughness without changing the surface physical chemistry. In this paper, we address this question by studying the effect of patterning voids on the interfacial-to-the overall response of an elastic plate glued to a rigid substrate by bilinear cohesive material. Different patterning categories are investigated; uniform, graded, and binary voids. Each case is subjected to upward displacement at the upper edge of the plate. We show that the peak force and maximum elongation at failure depend on the voids design and by changing the void size, alignment or gradation we may control these performance measures. We relate these changes in the measured force displacement response to energy release rate as a measure of interfacial toughness. We discuss the implications of our results on design of bulk heterogeneities for enhanced interfacial behavior.

  13. Interfacial potential approach for Ag/ZnO (0001) interfaces

    International Nuclear Information System (INIS)

    Song Hong-Quan; Shen Jiang; Qian Ping; Chen Nan-Xian

    2014-01-01

    Systematic approaches are presented to extract the interfacial potentials from the ab initio adhesive energy of the interface system by using the Chen—Möbius inversion method. We focus on the interface structure of the metal (111)/ZnO (0001) in this work. The interfacial potentials of Ag—Zn and Ag—O are obtained. These potentials can be used to solve some problems about Ag/ZnO interfacial structure. Three metastable interfacial structures are investigated in order to check these potentials. Using the interfacial potentials we study the procedure of interface fracture in the Ag/ZnO (0001) interface and discuss the change of the energy, stress, and atomic structures in tensile process. The result indicates that the exact misfit dislocation reduces the total energy and softens the fracture process. Meanwhile, the formation and mobility of the vacancy near the interface are observed. (condensed matter: structural, mechanical, and thermal properties)

  14. The analysis of interfacial waves

    International Nuclear Information System (INIS)

    Galimov, Azat Yu.; Drew, Donald A.; Lahey, Richard T.; Moraga, Francisco J.

    2005-01-01

    We present analytical results for stable stratified wavy two-phase flow and functional forms for the various interfacial force densities in a two-fluid model. In particular, we have derived analytically the components of the non-drag interfacial force density [Drew, D.A., Passman, S.L., 1998. Theory of Multicomponent Fluids. Springer-Verlag, New York; Nigmatulin, T.R., Drew, D.A., Lahey, R.T., Jr., 2000. An analysis of wavy annular flow. In: International Conference on Multiphase Systems, ICMS'2000, Ufa, Russia, June 15-17], Reynolds stress tensor, and the term, (p-bar cl i -p-bar cl )-bar α cl , where p-bar cl i is interfacial average pressure, p-bar cl the average pressure, and α cl is the volume fraction of the continuous liquid phase. These functional forms should be useful for assessing two-fluid closure relations and Computational Multiphase Fluid Dynamics (CMFD) numerical models for stratified wavy flows. Moreover, it appears that this approach can be generalized to other flow regimes (e.g., annular flows)

  15. Oxide/water interfaces: how the surface chemistry modifies interfacial water properties

    International Nuclear Information System (INIS)

    Gaigeot, Marie-Pierre; Sprik, Michiel; Sulpizi, Marialore

    2012-01-01

    The organization of water at the interface with silica and alumina oxides is analysed using density functional theory-based molecular dynamics simulation (DFT-MD). The interfacial hydrogen bonding is investigated in detail and related to the chemistry of the oxide surfaces by computing the surface charge density and acidity. We find that water molecules hydrogen-bonded to the surface have different orientations depending on the strength of the hydrogen bonds and use this observation to explain the features in the surface vibrational spectra measured by sum frequency generation spectroscopy. In particular, ‘ice-like’ and ‘liquid-like’ features in these spectra are interpreted as the result of hydrogen bonds of different strengths between surface silanols/aluminols and water. (paper)

  16. The influence of oxidation on space charge formation in gamma-irradiated low-density polyethylene

    CERN Document Server

    Chen, G; Xie, H K; Banford, H M; Davies, A E

    2003-01-01

    The research presented in this paper investigates the role of oxidation in the formation of space charge in gamma-irradiated low-density polyethylene after being electrically stressed under dc voltage. Polyethylene plaques both with and without antioxidant were irradiated up to 500 kGy using a sup 6 sup 0 Co gamma source and space charge distributions were measured using the piezoelectric induced pressure wave propagation method. It has been found that a large amount of positive charge evolved adjacent to the cathode in the sample without antioxidant and was clearly associated with oxidation of the surface. The amount of charge formed for a given applied stress increased with the dose absorbed by the material. A model has been proposed to explain the formation of space charge and its profile. The charge decay after the removal of the external applied stress is dominated by a process being controlled by the cathode interfacial stress (charge injection) rather than a conventional RC circuit model. On the other ...

  17. Modeling interfacial area transport in multi-fluid systems

    Energy Technology Data Exchange (ETDEWEB)

    Yarbro, Stephen Lee [Univ. of California, Berkeley, CA (United States)

    1996-11-01

    Many typical chemical engineering operations are multi-fluid systems. They are carried out in distillation columns (vapor/liquid), liquid-liquid contactors (liquid/liquid) and other similar devices. An important parameter is interfacial area concentration, which determines the rate of interfluid heat, mass and momentum transfer and ultimately, the overall performance of the equipment. In many cases, the models for determining interfacial area concentration are empirical and can only describe the cases for which there is experimental data. In an effort to understand multiphase reactors and the mixing process better, a multi-fluid model has been developed as part of a research effort to calculate interfacial area transport in several different types of in-line static mixers. For this work, the ensemble-averaged property conservation equations have been derived for each fluid and for the mixture. These equations were then combined to derive a transport equation for the interfacial area concentration. The final, one-dimensional model was compared to interfacial area concentration data from two sizes of Kenics in-line mixer, two sizes of concurrent jet and a Tee mixer. In all cases, the calculated and experimental data compared well with the highest scatter being with the Tee mixer comparison.

  18. Exchange bias mediated by interfacial nanoparticles (invited)

    Energy Technology Data Exchange (ETDEWEB)

    Berkowitz, A. E., E-mail: aberk@ucsd.edu [Department of Physics, University of California, San Diego, La Jolla, California 92093 (United States); Center for Magnetic Recording Research, University of California, California 92093 (United States); Sinha, S. K. [Department of Physics, University of California, San Diego, La Jolla, California 92093 (United States); Fullerton, E. E. [Center for Magnetic Recording Research, University of California, California 92093 (United States); Smith, D. J. [Department of Physics, Arizona State University, Tempe, Arizona 85287 (United States)

    2015-05-07

    The objective of this study on the iconic exchange-bias bilayer Permalloy/CoO has been to identify those elements of the interfacial microstructure and accompanying magnetic properties that are responsible for the exchange-bias and hysteretic properties of this bilayer. Both epitaxial and polycrystalline samples were examined. X-ray and neutron reflectometry established that there existed an interfacial region, of width ∼1 nm, whose magnetic properties differed from those of Py or CoO. A model was developed for the interfacial microstructure that predicts all the relevant properties of this system; namely; the temperature and Permalloy thickness dependence of the exchange-bias, H{sub EX}, and coercivity, H{sub C}; the much smaller measured values of H{sub EX} from what was nominally expected; the different behavior of H{sub EX} and H{sub C} in epitaxial and polycrystalline bilayers. A surprising result is that the exchange-bias does not involve direct exchange-coupling between Permalloy and CoO, but rather is mediated by CoFe{sub 2}O{sub 4} nanoparticles in the interfacial region.

  19. Remote interfacial dipole scattering and electron mobility degradation in Ge field-effect transistors with GeOx/Al2O3 gate dielectrics

    International Nuclear Information System (INIS)

    Wang, Xiaolei; Xiang, Jinjuan; Wang, Shengkai; Wang, Wenwu; Zhao, Chao; Ye, Tianchun; Xiong, Yuhua; Zhang, Jing

    2016-01-01

    Remote Coulomb scattering (RCS) on electron mobility degradation is investigated experimentally in Ge-based metal–oxide–semiconductor field-effect-transistors (MOSFETs) with GeO x /Al 2 O 3 gate stacks. It is found that the mobility increases with greater GeO x thickness (7.8–20.8 Å). The physical origin of this mobility dependence on GeO x thickness is explored. The following factors are excluded: Coulomb scattering due to interfacial traps at GeO x /Ge, phonon scattering, and surface roughness scattering. Therefore, the RCS from charges in gate stacks is studied. The charge distributions in GeO x /Al 2 O 3 gate stacks are evaluated experimentally. The bulk charges in Al 2 O 3 and GeO x are found to be negligible. The density of the interfacial charge is  +3.2  ×  10 12 cm −2 at the GeO x /Ge interface and  −2.3  ×  10 12 cm −2 at the Al 2 O 3 /GeO x interface. The electric dipole at the Al 2 O 3 /GeO x interface is found to be  +0.15 V, which corresponds to an areal charge density of 1.9  ×  10 13 cm −2 . The origin of this mobility dependence on GeO x thickness is attributed to the RCS due to the electric dipole at the Al 2 O 3 /GeO x interface. This remote dipole scattering is found to play a significant role in mobility degradation. The discovery of this new scattering mechanism indicates that the engineering of the Al 2 O 3 /GeO x interface is key for mobility enhancement and device performance improvement. These results are helpful for understanding and engineering Ge mobility enhancement. (paper)

  20. Probing Interfacial Water on Nanodiamonds in Colloidal Dispersion.

    Science.gov (United States)

    Petit, Tristan; Yuzawa, Hayato; Nagasaka, Masanari; Yamanoi, Ryoko; Osawa, Eiji; Kosugi, Nobuhiro; Aziz, Emad F

    2015-08-06

    The structure of interfacial water layers around nanoparticles dispersed in an aqueous environment may have a significant impact on their reactivity and on their interaction with biological species. Using transmission soft X-ray absorption spectroscopy in liquid, we demonstrate that the unoccupied electronic states of oxygen atoms from water molecules in aqueous colloidal dispersions of nanodiamonds have a different signature than bulk water. X-ray absorption spectroscopy can thus probe interfacial water molecules in colloidal dispersions. The impacts of nanodiamond surface chemistry and concentration on interfacial water electronic signature are discussed.

  1. Interfacial structures and area transport in upward and downward two-phase flow

    International Nuclear Information System (INIS)

    Paranjape, S. S.; Kim, S.; Ishii, M.; Kelly, J.

    2003-01-01

    An experimental study has been carried out for upward and downward two-phase flow to study local interfacial structures and interfacial area transport. The flow studied, is an adiabatic, air-water, co-current, two-phase flow, in 25.4 mm and 50.8 mm ID test sections. Flow regime map is obtained using the characteristic signals obtained from an impedance void meter, employing neural network based identification methodology. A four sensor conductivity probe is used to measure the local two phase flow parameters, in bubbly flow regime. The local profiles of these parameters as well as their axial development reveal the nature of the interfacial structures and the bubble interaction mechanisms occurring in the flow. Furthermore, this study provides a good database for the development of the interfacial area transport equation, which dynamically models the changes in the interfacial area along a flow field. An interfacial area transport equation is used for downward flow based on that developed for the upward flow, with certain modifications in the bubble interaction terms. The area averaged values of the interfacial area concentration are compared with those predicted by the interfacial area transport model. The differences in the interfacial structures and interfacial area transport in co-current downward and upward two-phase flows are studied

  2. Charge Transfer into Aqueous Droplets via Kilovolt Potentials

    Science.gov (United States)

    Hamlin, B. S.; Rosenberg, E. R.; Ristenpart, W. D.

    2012-11-01

    When an aqueous droplet immersed in an insulating oil contacts an electrified surface, the droplet acquires net charge. For sufficiently large field strengths, the charged droplet is driven back and forth electrophoretically between the electrodes, in essence ``bouncing'' between them. Although it is clear that the droplet acquires charge, the underlying mechanism controlling the charge transfer process has been unclear. Here we demonstrate that the chemical species present in the droplet strongly affect the charge transfer process into the drop. Using two independent charge measurement techniques, high speed video velocimetry and direct current measurement, we show that the charge acquired during contact is strongly influenced by the droplet pH. We also provide physical evidence that the electrodes undergo electroplating or corrosion for droplets with appropriate chemical species present. Together, the observations strongly suggest that electrochemical reactions govern the charge transfer process into the droplet.

  3. Scaling of interfacial jump conditions

    International Nuclear Information System (INIS)

    Quezada G, S.; Vazquez R, A.; Espinosa P, G.

    2015-09-01

    To model the behavior of a nuclear reactor accurately is needed to have balance models that take into account the different phenomena occurring in the reactor. These balances have to be coupled together through boundary conditions. The boundary conditions have been studied and different treatments have been given to the interface. In this paper is a brief description of some of the interfacial jump conditions that have been proposed in recent years. Also, the scaling of an interfacial jump condition is proposed, for coupling the different materials that are in contact within a nuclear reactor. (Author)

  4. Nanoscale interfacial defect shedding in a growing nematic droplet.

    Science.gov (United States)

    Gurevich, Sebastian; Provatas, Nikolas; Rey, Alejandro

    2017-08-01

    Interfacial defect shedding is the most recent known mechanism for defect formation in a thermally driven isotropic-to-nematic phase transition. It manifests in nematic-isotropic interfaces going through an anchoring switch. Numerical computations in planar geometry established that a growing nematic droplet can undergo interfacial defect shedding, nucleating interfacial defect structures that shed into the bulk as +1/2 point defects. By extending the study of interfacial defect shedding in a growing nematic droplet to larger length and time scales, and to three dimensions, we unveil an oscillatory growth mode involving shape and anchoring transitions that results in a controllable regular distributions of point defects in planar geometry, and complex structures of disclination lines in three dimensions.

  5. Interfacial characteristics and leakage current transfer mechanisms in organometal trihalide perovskite gate-controlled devices via doping of PCBM

    International Nuclear Information System (INIS)

    Wang, Yucheng; Zhang, Yuming; Liu, Yintao; Pang, Tiqiang; Luan, Suzhen; Jia, Renxu; Hu, Ziyang; Zhu, Yuejin

    2017-01-01

    Two types of perovskite (with and without doping of PCBM) based metal-oxide-semiconductor (MOS) gate-controlled devices were fabricated and characterized. The study of the interfacial characteristics and charge transfer mechanisms by doping of PCBM were analyzed by material and electrical measurements. Doping of PCBM does not affect the size and crystallinity of perovskite films, but has an impact on carrier extraction in perovskite MOS devices. The electrical hysteresis observed in capacitance–voltage and current–voltage measurements can be alleviated by doping of PCBM. Experimental results demonstrate that extremely low trap densities are found for the perovskite device without doping, while the doped sample leads to higher density of interface state. Three mechanisms including Ohm’s law, trap-filled-limit (TFL) emission, and child’s law were used to analyze possible charge transfer mechanisms. Ohm’s law mechanism is well suitable for charge transfer of both the perovskite MOS devices under light condition at large voltage, while TFL emission well addresses the behavior of charge transfer under dark at small voltage. This change of charge transfer mechanism is attributed to the impact of the ion drift within perovskites. (paper)

  6. Interfacial friction in low flowrate vertical annular flow

    International Nuclear Information System (INIS)

    Kelly, J.M.; Freitas, R.L.

    1993-01-01

    During boil-off and reflood transients in nuclear reactors, the core liquid inventory and inlet flowrate are largely determined by the interfacial friction in the reactor core. For these transients, annular flow occurs at relatively modest liquid flowrates and at the low heat fluxes typical of decay heat conditions. The resulting low vapor Reynolds numbers, are out of the data range used to develop the generally accepted interfacial friction relations for annular flow. In addition, most existing annular flow data comes from air/liquid adiabatic experiments with fully developed flows. By contrast, in a reactor core, the flow is continuously developing along the heated length as the vapor flowrate increases and the flow regimes evolve from bubbly to annular flow. Indeed, the entire annular flow regime may exist only over tens of L/D's. Despite these limitations, many of the advanced reactor safety analysis codes employ the Wallis model for interfacial friction in annular flow. Our analyses of the conditions existing at the end-of-reflood in the PERICLES tests have indicated that the Wallis model seriously underestimates the interfacial shear for low vapor velocity cocurrent upflow. To extend the annular flow data base to diabatic low flowrate conditions, the DADINE tests were re-analyzed. In these tests, both pressure drop and local cross-section averaged void fractions were measured. Thus, both the wall and interfacial shear can be deduced. Based on the results of this analysis, a new correlation is proposed for interfacial friction in annular flow. (authors). 5 figs., 12 refs

  7. Interfacial area transport of bubbly flow in a small diameter pipe

    International Nuclear Information System (INIS)

    Hibiki, Takashi; Takamasa, Tomoji; Ishii, Mamoru

    2001-01-01

    In relation to the development of the interfacial area transport equation, this study focused on modeling of the interfacial area transport mechanism of vertical adiabatic air-water bubbly flows in a relatively small diameter pipe where the bubble size-to-pipe diameter ratio was relatively high and the radial motion of bubbles was restricted by the presence of the pipe wall. The sink term of the interfacial area concentration was modeled by considering wake entrainment as a possible bubble coalescence mechanism, whereas the source term was neglected by assuming negligibly small bubble breakup for low liquid velocity conditions based on visual observation. One-dimensional interfacial area transport equation with the derived sink term was evaluated by using five datasets of vertical adiabatic air-water bubbly flows measured in a 9.0 mm-diameter pipe (superficial gas velocity: 0.013-0.052 m/s, superficial liquid velocity: 0.58-1.0 m/s). The modeled interfacial area transport equation could reproduce the proper trend of the axial interfacial area transport and predict the measured interfacial area concentrations within an average relative deviation of ±11.1%. It was recognized that the present model would be promising for predicting the interfacial area transport of the examined bubbly flows. (author)

  8. A Summary of Interfacial Heat Transfer Models and Correlations

    Energy Technology Data Exchange (ETDEWEB)

    Bae, Sung Won; Cho, Hyung Kyu; Lee, Young Jin; Kim, Hee Chul; Jung, Young Jong; Kim, K. D. [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2007-10-15

    A long term project has been launched in October 2006 to develop a plant safety analysis code. 5 organizations are joining together for the harmonious coworking to build up the code. In this project, KAERI takes the charge of the building up the physical models and correlations about the transport phenomena. The momentum and energy transfer terms as well as the mass are surveyed from the RELAP5/MOD3, RELAP5-3D, CATHARE, and TRAC-M does. Also the recent papers are surveyed. Among these resources, most of the CATHARE models are based on their own experiment and test results. Thus, the CATHARE models are only used as the comparison purposes. In this paper, a summary of the models and the correlations about the interfacial heat transfer are represented. These surveyed models and correlations will be tested numerically and one correlation is selected finally.

  9. Interfacial crystalline structures in injection over-molded polypropylene and bond strength.

    Science.gov (United States)

    Yan, Bowen; Wu, Hong; Jiang, Genjie; Guo, Shaoyun; Huang, Jian

    2010-11-01

    This paper describes interfacial crystalline structures found in injection overmolded polypropylene components and the relationship of these structures to bond strength between the components. The combined effects of the development of hierarchical gradient structures and the particular thermomechanical environment near the interface on the interfacial crystalline structures were investigated in detail by PLM, SEM, DSC, WAXD, and infrared dichroism spectroscopy. The experimental results showed that during molding there was competitive formation of interfacial crystalline structures consisted of "shish-kebab" layer (SKL) and a transcrystalline layers (TCL). Variation in shear stress (controlled by injection pressure and injection speed) plays an important role in the formation of the SKL. The formation of TCL is influenced by the thermal environment, namely melt temperature and mold temperature. Increasing within certain limits, interfacial temperature and the thermal gradient near the interface promotes β-iPP growth. The relationship between interfacial crystalline structures and interfacial bond strength was established by lap shear measurement. The interfacial bond strength is improved by enhancing the formation of TCL, but reduced if SKL predominates.

  10. NET-2 Network Analysis Program

    International Nuclear Information System (INIS)

    Malmberg, A.F.

    1974-01-01

    The NET-2 Network Analysis Program is a general purpose digital computer program which solves the nonlinear time domain response and the linearized small signal frequency domain response of an arbitrary network of interconnected components. NET-2 is capable of handling a variety of components and has been applied to problems in several engineering fields, including electronic circuit design and analysis, missile flight simulation, control systems, heat flow, fluid flow, mechanical systems, structural dynamics, digital logic, communications network design, solid state device physics, fluidic systems, and nuclear vulnerability due to blast, thermal, gamma radiation, neutron damage, and EMP effects. Network components may be selected from a repertoire of built-in models or they may be constructed by the user through appropriate combinations of mathematical, empirical, and topological functions. Higher-level components may be defined by subnetworks composed of any combination of user-defined components and built-in models. The program provides a modeling capability to represent and intermix system components on many levels, e.g., from hole and electron spatial charge distributions in solid state devices through discrete and integrated electronic components to functional system blocks. NET-2 is capable of simultaneous computation in both the time and frequency domain, and has statistical and optimization capability. Network topology may be controlled as a function of the network solution. (U.S.)

  11. Monolithic All-Phosphate Solid-State Lithium-Ion Battery with Improved Interfacial Compatibility.

    Science.gov (United States)

    Yu, Shicheng; Mertens, Andreas; Tempel, Hermann; Schierholz, Roland; Kungl, Hans; Eichel, Rüdiger-A

    2018-06-22

    High interfacial resistance between solid electrolyte and electrode of ceramic all-solid-state batteries is a major reason for the reduced performance of these batteries. A solid-state battery using a monolithic all-phosphate concept based on screen printed thick LiTi 2 (PO 4 ) 3 anode and Li 3 V 2 (PO 4 ) 3 cathode composite layers on a densely sintered Li 1.3 Al 0.3 Ti 1.7 (PO 4 ) 3 solid electrolyte has been realized with competitive cycling performance. The choice of materials was primarily based on the (electro-)chemical and mechanical matching of the components instead of solely focusing on high-performance of individual components. Thus, the battery utilized a phosphate backbone in combination with tailored morphology of the electrode materials to ensure good interfacial matching for a durable mechanical stability. Moreover, the operating voltage range of the active materials matches with the intrinsic electrochemical window of the electrolyte which resulted in high electrochemical stability. A highly competitive discharge capacity of 63.5 mAh g -1 at 0.39 C after 500 cycles, corresponding to 84% of the initial discharge capacity, was achieved. The analysis of interfacial charge transfer kinetics confirmed the structural and electrical properties of the electrodes and their interfaces with the electrolyte, as evidenced by the excellent cycling performance of the all-phosphate solid-state battery. These interfaces have been studied via impedance analysis with subsequent distribution of relaxation times analysis. Moreover, the prepared solid-state battery could be processed and operated in air atmosphere owing to the low oxygen sensitivity of the phosphate materials. The analysis of electrolyte/electrode interfaces after cycling demonstrates that the interfaces remained stable during cycling.

  12. Charge separation sensitized by advanced II-VI semiconductor nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Kelley, David F. [Univ.of California, Merced, CA (United States)

    2017-04-11

    This proposal focuses on how the composition and morphology of pure and alloyed II-VI semiconductor heterostructures control their spectroscopic and dynamical properties. The proposed research will use a combination of synthesis development, electron microscopy, time-resolved electronic spectroscopy and modeling calculations to study these nanostructures. The proposed research will examine the extent to which morphology, compression due to lattice mismatch and alloy effects can be used to tune the electron and hole energies and the spectroscopic properties of II-VI heterojunctions. It will also use synthesis, optical spectroscopy and HRTEM to examine the role of lattice mismatch and hence lattice strain in producing interfacial defects, and the extent to which defect formation can be prevented by controlling the composition profile through the particles and across the interfaces. Finally, we will study the magnitude of the surface roughness in core/shell nanostructures and the role of shell thickness variability on the inhomogeneity of interfacial charge transfer rates.

  13. Microfluidic ultralow interfacial tensiometry with magnetic particles.

    Science.gov (United States)

    Tsai, Scott S H; Wexler, Jason S; Wan, Jiandi; Stone, Howard A

    2013-01-07

    We describe a technique that measures ultralow interfacial tensions using paramagnetic spheres in a co-flow microfluidic device designed with a magnetic section. Our method involves tuning the distance between the co-flowing interface and the magnet's center, and observing the behavior of the spheres as they approach the liquid-liquid interface-the particles either pass through or are trapped by the interface. Using threshold values of the magnet-to-interface distance, we make estimates of the two-fluid interfacial tension. We demonstrate the effectiveness of this technique for measuring very low interfacial tensions, O(10(-6)-10(-5)) N m(-1), by testing solutions of different surfactant concentrations, and we show that our results are comparable with measurements made using a spinning drop tensiometer.

  14. Interfacial patterns in magnetorheological fluids: Azimuthal field-induced structures.

    Science.gov (United States)

    Dias, Eduardo O; Lira, Sérgio A; Miranda, José A

    2015-08-01

    Despite their practical and academic relevance, studies of interfacial pattern formation in confined magnetorheological (MR) fluids have been largely overlooked in the literature. In this work, we present a contribution to this soft matter research topic and investigate the emergence of interfacial instabilities when an inviscid, initially circular bubble of a Newtonian fluid is surrounded by a MR fluid in a Hele-Shaw cell apparatus. An externally applied, in-plane azimuthal magnetic field produced by a current-carrying wire induces interfacial disturbances at the two-fluid interface, and pattern-forming structures arise. Linear stability analysis, weakly nonlinear theory, and a vortex sheet approach are used to access early linear and intermediate nonlinear time regimes, as well as to determine stationary interfacial shapes at fully nonlinear stages.

  15. Proton surface charge determination in Spodosol horizons with organically bound aluminum

    Science.gov (United States)

    Skyllberg, Ulf; Borggaard, Ole K.

    1998-05-01

    Net proton surface charge densities were determined in O, E, Bh, and Bs horizons of a sandy till, Spodosol from Denmark, by means of acid-base titration combined with ion adsorption in 0.005 M Ca(NO 3) 2 and independent permanent charge determination. The release of organic anions exceeded the adsorption of NO 3-, resulting in a desorption of anions in all horizons. Data were found to obey the law of balance between surface charges and adsorbed ions only when charges pertaining to Al and organic anions released during the titration experiments were accounted for, in addition to charges pertaining the potential determining ions (PDI) H + and OH - and the index ions Ca 2+ and NO 3-. It was furthermore shown that the point of zero net proton charge (PZNPC) in soils highly depends on the concentration of organically bound Al. Approaches previously used in soils, in which adsorbed Al n+ has been ignored (i.e., considered equivalent to nH + as a PDI), resulted in a PZNPC of 4.1 in the Bs horizon. If instead organically bound Al was accounted for as a counter-ion similar to 3/2Ca 2+, a PZNPC of 2.9 was obtained for the same Bs horizon. Based on PZNPC values estimated by the latter approach, combined with a weak-acid analog, it was shown that organic proton surface charges buffered pH with a similar intensity in the O, E, Bh, and Bs horizons of this study. Because the acidity of Al adsorbed to conjugate bases of soil organic acids is substantially weaker than the acidity of the corresponding protonated form of the organic acids, the point of zero net proton charge (PZNPC) will increase if the concentration of organically adsorbed Al increases at the expense of adsorbed H. This means that PZNPC values determined for soils with unknown concentrations of organically adsorbed Al are highly operational and not very meaningful as references.

  16. Remote interfacial dipole scattering and electron mobility degradation in Ge field-effect transistors with GeO x /Al2O3 gate dielectrics

    Science.gov (United States)

    Wang, Xiaolei; Xiang, Jinjuan; Wang, Shengkai; Wang, Wenwu; Zhao, Chao; Ye, Tianchun; Xiong, Yuhua; Zhang, Jing

    2016-06-01

    Remote Coulomb scattering (RCS) on electron mobility degradation is investigated experimentally in Ge-based metal-oxide-semiconductor field-effect-transistors (MOSFETs) with GeO x /Al2O3 gate stacks. It is found that the mobility increases with greater GeO x thickness (7.8-20.8 Å). The physical origin of this mobility dependence on GeO x thickness is explored. The following factors are excluded: Coulomb scattering due to interfacial traps at GeO x /Ge, phonon scattering, and surface roughness scattering. Therefore, the RCS from charges in gate stacks is studied. The charge distributions in GeO x /Al2O3 gate stacks are evaluated experimentally. The bulk charges in Al2O3 and GeO x are found to be negligible. The density of the interfacial charge is  +3.2  ×  1012 cm-2 at the GeO x /Ge interface and  -2.3  ×  1012 cm-2 at the Al2O3/GeO x interface. The electric dipole at the Al2O3/GeO x interface is found to be  +0.15 V, which corresponds to an areal charge density of 1.9  ×  1013 cm-2. The origin of this mobility dependence on GeO x thickness is attributed to the RCS due to the electric dipole at the Al2O3/GeO x interface. This remote dipole scattering is found to play a significant role in mobility degradation. The discovery of this new scattering mechanism indicates that the engineering of the Al2O3/GeO x interface is key for mobility enhancement and device performance improvement. These results are helpful for understanding and engineering Ge mobility enhancement.

  17. Supersaturated Self-Assembled Charge-Selective Interfacial Layers for Organic Solar Cells

    Science.gov (United States)

    2014-11-24

    layers (IFLs) on the tin-doped indium oxide (ITO) anodes of organic photovoltaic (OPV) cells, a series of Ar2N-(CH2)n-SiCl3 precursors with Ar = 3,4...Bulk- heterojunction OPV devices are fabricated with these SHSAMs: ITO/IFL/poly[[4,8- bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b′]dithiophene-2,6-diyl][2...phobicity,15,19,20 electrical conductivity,21−23 and charge in- jection/collection selectivity through the film.1,2,10 For example, on metal oxide substrates

  18. Strong and reversible modulation of carbon nanotube-silicon heterojunction solar cells by an interfacial oxide layer.

    Science.gov (United States)

    Jia, Yi; Cao, Anyuan; Kang, Feiyu; Li, Peixu; Gui, Xuchun; Zhang, Luhui; Shi, Enzheng; Wei, Jinquan; Wang, Kunlin; Zhu, Hongwei; Wu, Dehai

    2012-06-21

    Deposition of nanostructures such as carbon nanotubes on Si wafers to make heterojunction structures is a promising route toward high efficiency solar cells with reduced cost. Here, we show a significant enhancement in the cell characteristics and power conversion efficiency by growing a silicon oxide layer at the interface between the nanotube film and Si substrate. The cell efficiency increases steadily from 0.5% without interfacial oxide to 8.8% with an optimal oxide thickness of about 1 nm. This systematic study reveals that formation of an oxide layer switches charge transport from thermionic emission to a mixture of thermionic emission and tunneling and improves overall diode properties, which are critical factors for tailoring the cell behavior. By controlled formation and removal of interfacial oxide, we demonstrate oscillation of the cell parameters between two extreme states, where the cell efficiency can be reversibly altered by a factor of 500. Our results suggest that the oxide layer plays an important role in Si-based photovoltaics, and it might be utilized to tune the cell performance in various nanostructure-Si heterojunction structures.

  19. Buried homojunction in CdS/Sb2Se3 thin film photovoltaics generated by interfacial diffusion

    Science.gov (United States)

    Zhou, Ying; Li, Yang; Luo, Jiajun; Li, Dengbing; Liu, Xinsheng; Chen, Chao; Song, Huaibing; Ma, Jingyuan; Xue, Ding-Jiang; Yang, Bo; Tang, Jiang

    2017-07-01

    Antimony selenide (Sb2Se3) emerges as a very promising non-toxic absorber material for thin film photovoltaics, and most of the devices, either in the superstrate or substrate configuration, employed CdS as the buffer layer. Due to the peculiar one-dimensional crystal structure of Sb2Se3, severe interfacial diffusion would be expected. In this letter, the interfacial diffusion in CdS/Sb2Se3 photovoltaics was carefully characterized from a combined material and device physics characterization. The results indicated that a buried homojunction located deep inside the Sb2Se3 absorber layer due to Cd diffusion, instead of the apparent CdS/Sb2Se3 heterojunction, dictated charge separation and device performance in Sb2Se3 thin film solar cells. Cd diffusion converted p-type Sb2Se3 into n-type by introducing a donor level with an activation energy of 0.22 eV. Our studies deepen the understanding of Sb2Se3 photovoltaics and shed light on their further performance optimization.

  20. Interfacial adhesion of laser clad functionally graded materials

    NARCIS (Netherlands)

    Pei, Y. T.; Ocelik, V.; De Hosson, J. T. M.

    2003-01-01

    Specially designed samples of laser clad AlSi40 functionally graded materials (FGM) are made for evaluating the interfacial adhesion. To obtain the interfacial bond strength notches are made right at the interface of the FGMs. In-situ microstructural observations during straining in a field-emission

  1. Interfacial adhesion of laser clad functionally graded materials

    NARCIS (Netherlands)

    De Hosson, JTM; Pei, YT; Ocelik, [No Value; Sudarshan, TS; Stiglich, JJ; Jeandin, M

    2002-01-01

    Specially designed samples of laser clad AlSi40 functionally graded materials (FGM) are made for evaluating the interfacial adhesion. To obtain the interfacial bond strength notches are made right at the interface of the FGMs. In-sitit microstructural observations during straining in an FEG-ESEM

  2. Charged particle interaction with a chirped electromagnetic pulse

    NARCIS (Netherlands)

    Khachatryan, A.G.; Boller, Klaus J.; van Goor, F.A.

    2003-01-01

    It is found that a charged particle can get a net energy gain from the interaction with an electromagnetic chirped pulse. Theoretically, the energy gain increases with the pulse amplitude and with the relative frequency variation in the pulse.

  3. Experimental study on interfacial area transport in downward two-phase flow

    Science.gov (United States)

    Wang, Guanyi

    In view of the importance of two group interfacial area transport equations and lack of corresponding accurate downward flow database that can reveal two group interfacial area transport, a systematic database for adiabatic, air-water, vertically downward two-phase flow in a round pipe with inner diameter of 25.4 mm was collected to gain an insight of interfacial structure and provide benchmarking data for two-group interfacial area transport models. A four-sensor conductivity probe was used to measure the local two phase flow parameters and data was collected with data sampling frequency much higher than conventional data sampling frequency to ensure the accuracy. Axial development of local flow parameter profiles including void fraction, interfacial area concentration, and Sauter mean diameter were presented. Drastic inter-group transfer of void fraction and interfacial area was observed at bubbly to slug transition flow. And the wall peaked interfacial area concentration profiles were observed in churn-turbulent flow. The importance of local data about these phenomenon on flow structure prediction and interfacial area transport equation benchmark was analyzed. Bedsides, in order to investigate the effect of inlet conditions, all experiments were repeated after installing the flow straightening facility, and the results were briefly analyzed. In order to check the accuracy of current data, the experiment results were cross-checked with rotameter measurement as well as drift-flux model prediction, the averaged error is less than 15%. Current models for two-group interfacial area transport equation were evaluated using these data. The results show that two-group interfacial area transport equations with current models can predict most flow conditions with error less than 20%, except some bubbly to slug transition flow conditions and some churn-turbulent flow conditions. The disagreement between models and experiments could result from underestimate of inter

  4. How Does a SILAR CdSe Film Grow? Tuning the Deposition Steps to Suppress Interfacial Charge Recombination in Solar Cells.

    Science.gov (United States)

    Becker, Matthew A; Radich, James G; Bunker, Bruce A; Kamat, Prashant V

    2014-05-01

    Successive ionic layer adsorption and reaction (SILAR) is a popular method of depositing the metal chalcogenide semiconductor layer on the mesoscopic metal oxide films for designing quantum-dot-sensitized solar cells (QDSSCs) or extremely thin absorber (ETA) solar cells. While this deposition method exhibits higher loading of the light-absorbing semiconductor layer than direct adsorption of presynthesized colloidal quantum dots, the chemical identity of these nanostructures and the evolution of interfacial structure are poorly understood. We have now analyzed step-by-step SILAR deposition of CdSe films on mesoscopic TiO2 nanoparticle films using X-ray absorption near-edge structure analysis and probed the interfacial structure of these films. The film characteristics interestingly show dependence on the order in which the Cd and Se are deposited, and the CdSe-TiO2 interface is affected only during the first few cycles of deposition. Development of a SeO2 passivation layer in the SILAR-prepared films to form a TiO2/SeO2/CdSe junction facilitates an increase in photocurrents and power conversion efficiencies of quantum dot solar cells when these films are integrated as photoanodes in a photoelectrochemical solar cell.

  5. Interfacial shear stress in stratified flow in a horizontal rectangular duct

    International Nuclear Information System (INIS)

    Lorencez, C.; Kawaji, M.; Murao, Y.

    1995-01-01

    Interfacial shear stress has been experimentally examined for both cocurrent and countercurrent stratified wavy flows in a horizontal interfacial shear stress from the measurements were examined and the results have been compared with existing correlations. Some differences were found in the estimated interfacial shear stress from the measurements were examined and the results have been compared with existing correlations. Some differences were found in the estimated interfacial shear stress values at high gas flow rates which could be attributed to the assumptions and procedures involved in each method. The interfacial waves and secondary motions were also found to have significant effects on the accuracy of Reynolds stress and turbulence kinetic energy extrapolation methods

  6. Interfacial shear stress in stratified flow in a horizontal rectangular duct

    Energy Technology Data Exchange (ETDEWEB)

    Lorencez, C.; Kawaji, M. [Univ. of Toronto (Canada); Murao, Y. [Tokushima Univ. (Japan)] [and others

    1995-09-01

    Interfacial shear stress has been experimentally examined for both cocurrent and countercurrent stratified wavy flows in a horizontal interfacial shear stress from the measurements were examined and the results have been compared with existing correlations. Some differences were found in the estimated interfacial shear stress from the measurements were examined and the results have been compared with existing correlations. Some differences were found in the estimated interfacial shear stress values at high gas flow rates which could be attributed to the assumptions and procedures involved in each method. The interfacial waves and secondary motions were also found to have significant effects on the accuracy of Reynolds stress and turbulence kinetic energy extrapolation methods.

  7. Spin pumping in ion-beam sputtered C o2FeAl /Mo bilayers: Interfacial Gilbert damping

    Science.gov (United States)

    Husain, Sajid; Kumar, Ankit; Barwal, Vineet; Behera, Nilamani; Akansel, Serkan; Svedlindh, Peter; Chaudhary, Sujeet

    2018-02-01

    The spin-pumping mechanism and associated interfacial Gilbert damping are demonstrated in ion-beam sputtered C o2FeAl (CFA)/Mo bilayer thin films employing ferromagnetic resonance spectroscopy. The dependence of the net spin-current transportation on Mo layer thickness, 0 to 10 nm, and the enhancement of the net effective Gilbert damping are reported. The experimental data have been analyzed using spin-pumping theory in terms of spin current pumped through the ferromagnet/nonmagnetic metal interface to deduce the real spin-mixing conductance and the spin-diffusion length, which are estimated to be 1.56 (±0.30 ) ×1019m-2 and 2.61 (±0.15 )nm , respectively. The damping constant is found to be 8.8 (±0.2 ) ×10-3 in the Mo(3.5 nm)-capped CFA(8 nm) sample corresponding to an ˜69 % enhancement of the original Gilbert damping 5.2 (±0.6 ) ×10-3 in the Al-capped CFA thin film. This is further confirmed by inserting the Cu dusting layer which reduces the spin transport across the CFA/Mo interface. The Mo layer thickness-dependent net spin-current density is found to lie in the range of 1 -4 MA m-2 , which also provides additional quantitative evidence of spin pumping in this bilayer thin-film system.

  8. Small amplitude variable charge dust Bernstein-Greene-Kruskal double layers

    Energy Technology Data Exchange (ETDEWEB)

    Amour, Rabia [Plasma Physics Group, Theoretical Physics Laboratory, Faculty of Sciences - Physics, U.S.T.H.B, Bab-Ezzouar, B.P. 32, El Alia, Algiers 16111 (Algeria); Tribeche, Mouloud [Plasma Physics Group, Theoretical Physics Laboratory, Faculty of Sciences - Physics, U.S.T.H.B, Bab-Ezzouar, B.P. 32, El Alia, Algiers 16111 (Algeria)], E-mail: mouloud-tribeche@lycos.com

    2009-05-11

    A first theoretical attempt is made to investigate small amplitude, variable charge dust Bernstein-Greene-Kruskal (BGK) double layers (DLs). The nature of the dust BGK-DLs (compressive or rarefactive), their strength and thickness depend sensitively on the net negative charge residing on the grain surface, the dust grain dynamics and, more interestingly, on the ion-to-electron temperatures ratio.

  9. Small amplitude variable charge dust Bernstein-Greene-Kruskal double layers

    International Nuclear Information System (INIS)

    Amour, Rabia; Tribeche, Mouloud

    2009-01-01

    A first theoretical attempt is made to investigate small amplitude, variable charge dust Bernstein-Greene-Kruskal (BGK) double layers (DLs). The nature of the dust BGK-DLs (compressive or rarefactive), their strength and thickness depend sensitively on the net negative charge residing on the grain surface, the dust grain dynamics and, more interestingly, on the ion-to-electron temperatures ratio.

  10. Transient interfacial tension and dilatational rheology of diffuse polymer-polymer interfaces

    NARCIS (Netherlands)

    Peters, G.W.M.; Zdravkov, A.N.; Meijer, H.E.H.

    2005-01-01

    We demonstrate the influence of molecular weight and molecular weightasymmetry across an interface on the transient behavior of the interfacial tension. The interfacial tension was measured as a function of time for a range of polymer combinations with a broadrange of interfacial properties using a

  11. An improved interfacial bonding model for material interface modeling

    Science.gov (United States)

    Lin, Liqiang; Wang, Xiaodu; Zeng, Xiaowei

    2016-01-01

    An improved interfacial bonding model was proposed from potential function point of view to investigate interfacial interactions in polycrystalline materials. It characterizes both attractive and repulsive interfacial interactions and can be applied to model different material interfaces. The path dependence of work-of-separation study indicates that the transformation of separation work is smooth in normal and tangential direction and the proposed model guarantees the consistency of the cohesive constitutive model. The improved interfacial bonding model was verified through a simple compression test in a standard hexagonal structure. The error between analytical solutions and numerical results from the proposed model is reasonable in linear elastic region. Ultimately, we investigated the mechanical behavior of extrafibrillar matrix in bone and the simulation results agreed well with experimental observations of bone fracture. PMID:28584343

  12. Surface adsorption of oppositely charged C14TAB-PAMPS mixtures at the air/water interface and the impact on foam film stability.

    Science.gov (United States)

    Fauser, Heiko; von Klitzing, Regine; Campbell, Richard A

    2015-01-08

    We have studied the oppositely charged polyelectrolyte/surfactant mixture of poly(acrylamidomethylpropanesulfonate) sodium salt (PAMPS) and tetradecyl trimethylammonium bromide (C14TAB) using a combination of neutron reflectivity and ellipsometry measurements. The interfacial composition was determined using three different analysis methods involving the two techniques for the first time. The bulk surfactant concentration was fixed at a modest value while the bulk polyelectrolyte concentration was varied over a wide range. We reveal complex changes in the surface adsorption behavior. Mixtures with low bulk PAMPS concentrations result in the components interacting synergistically in charge neutral layers at the air/water interface. At the bulk composition where PAMPS and C14TAB are mixed in an equimolar charge ratio in the bulk, we observe a dramatic drop in the surfactant surface excess to leave a large excess of polyelectrolyte at the interface, which we infer to have loops in its interfacial structure. Further increase of the bulk PAMPS concentration leads to a more pronounced depletion of material from the surface. Mixtures containing a large excess of PAMPS in the bulk showed enhanced adsorption, which is attributed to the large increase in total ionic strength of the system and screening of the surfactant headgroup charges. The data are compared to our former results on PAMPS/C14TAB mixtures [Kristen et al. J. Phys. Chem. B, 2009, 23, 7986]. A peak in the surface tension is rationalized in terms of the changing surface adsorption and, unlike in more concentrated systems, is unrelated to bulk precipitation. Also, a comparison between the determined interfacial composition with zeta potential and foam film stability data shows that the highest film stability occurs when there is enhanced synergistic adsorption of both components at the interface due to charge screening when the total ionic strength of the system is highest. The additional contribution to the

  13. Space-charge Effect on Electroresistance in Metal-Ferroelectric-Metal capacitors

    Science.gov (United States)

    Tian, Bo Bo; Liu, Yang; Chen, Liu Fang; Wang, Jian Lu; Sun, Shuo; Shen, Hong; Sun, Jing Lan; Yuan, Guo Liang; Fusil, Stéphane; Garcia, Vincent; Dkhil, Brahim; Meng, Xiang Jian; Chu, Jun Hao

    2015-12-01

    Resistive switching through electroresistance (ER) effect in metal-ferroelectric-metal (MFM) capacitors has attracted increasing interest due to its potential applications as memories and logic devices. However, the detailed electronic mechanisms resulting in large ER when polarisation switching occurs in the ferroelectric barrier are still not well understood. Here, ER effect up to 1000% at room temperature is demonstrated in C-MOS compatible MFM nanocapacitors with a 8.8 nm-thick poly(vinylidene fluoride) (PVDF) homopolymer ferroelectric, which is very promising for silicon industry integration. Most remarkably, using theory developed for metal-semiconductor rectifying contacts, we derive an analytical expression for the variation of interfacial barrier heights due to space-charge effect that can interpret the observed ER response. We extend this space-charge model, related to the release of trapped charges by defects, to MFM structures made of ferroelectric oxides. This space-charge model provides a simple and straightforward tool to understand recent unusual reports. Finally, this work suggests that defect-engineering could be an original and efficient route for tuning the space-charge effect and thus the ER performances in future electronic devices.

  14. Organic/inorganic electrochromic nanocomposites with various interfacial interactions: A review

    Energy Technology Data Exchange (ETDEWEB)

    Xiong, Shanxin, E-mail: xiongsx@xust.edu.cn; Yin, Siyuan; Wang, Yuyun; Kong, Zhenzhen; Lan, Jinpeng; Zhang, Runlan; Gong, Ming; Wu, Bohua; Chu, Jia; Wang, Xiaoqin

    2017-07-15

    Highlights: • We review the effects of interfacial interactions in electrochromic nanocomposites. • Interfacial interactions are useful for film fabrication and property-enhancement. • The strong interaction can enhance the electron conduction and structural strength. • The weak interactions exist widely between organic and inorganic phases. • Multiple weak interactions can provide various performance-adjusting approaches. - Abstract: Electrochromic properties of organic or inorganic materials can be improved through preparing organic/inorganic electrochromic nanocomposites. In electrochromic nanocomposites, the interfacial interactions between the organic and inorganic phases play three important roles in preparation and application of the nanocomposites. Firstly, the interfacial interactions result in stable molecular structures. Secondly, they also improve the electron conduction and ion transport process in the nanocomposites. Thirdly, they enhance the electrochemical and electrochromic properties of the nanocomposites. In this paper, we review the common interfacial interactions including covalent bond, coordination bond, electrostatic interaction, hydrogen bond and π-π stacking interaction between the organic and inorganic phases in the electrochromic nanocomposites. The preparation method, the relationship between the structure and properties, and the mechanism of modulation of electrochromic effect in the nanocomposites with various interfacial interactions are surveyed. The strong interfacial interaction, e.g., covalent bond, is helpful for obtaining electrochromic nanocomposites with high electron conduction and high structural strength. However it is very complicated to construct covalent bond between the organic and inorganic phases. Another strong interfacial interaction, the coordination bond is mainly confined to preparation of electrochromic complex of metal ion and pyridine derivative. While, the weak interfacial interactions, e

  15. Organic/inorganic electrochromic nanocomposites with various interfacial interactions: A review

    International Nuclear Information System (INIS)

    Xiong, Shanxin; Yin, Siyuan; Wang, Yuyun; Kong, Zhenzhen; Lan, Jinpeng; Zhang, Runlan; Gong, Ming; Wu, Bohua; Chu, Jia; Wang, Xiaoqin

    2017-01-01

    Highlights: • We review the effects of interfacial interactions in electrochromic nanocomposites. • Interfacial interactions are useful for film fabrication and property-enhancement. • The strong interaction can enhance the electron conduction and structural strength. • The weak interactions exist widely between organic and inorganic phases. • Multiple weak interactions can provide various performance-adjusting approaches. - Abstract: Electrochromic properties of organic or inorganic materials can be improved through preparing organic/inorganic electrochromic nanocomposites. In electrochromic nanocomposites, the interfacial interactions between the organic and inorganic phases play three important roles in preparation and application of the nanocomposites. Firstly, the interfacial interactions result in stable molecular structures. Secondly, they also improve the electron conduction and ion transport process in the nanocomposites. Thirdly, they enhance the electrochemical and electrochromic properties of the nanocomposites. In this paper, we review the common interfacial interactions including covalent bond, coordination bond, electrostatic interaction, hydrogen bond and π-π stacking interaction between the organic and inorganic phases in the electrochromic nanocomposites. The preparation method, the relationship between the structure and properties, and the mechanism of modulation of electrochromic effect in the nanocomposites with various interfacial interactions are surveyed. The strong interfacial interaction, e.g., covalent bond, is helpful for obtaining electrochromic nanocomposites with high electron conduction and high structural strength. However it is very complicated to construct covalent bond between the organic and inorganic phases. Another strong interfacial interaction, the coordination bond is mainly confined to preparation of electrochromic complex of metal ion and pyridine derivative. While, the weak interfacial interactions, e

  16. Magnetism by interfacial hybridization and p-type doping of MoS2 in Fe4N/MoS2 superlattices: A first-principles study

    KAUST Repository

    Feng, Nan

    2014-03-26

    Magnetic and electronic properties of Fe4N(111)/MoS 2(√3 × √3) superlattices are investigated by first-principles calculations, considering two models: (I) FeIFe II-S and (II) N-S interfaces, each with six stacking configurations. In model I, strong interfacial hybridization between FeI/Fe II and S results in magnetism of monolayer MoS2, with a magnetic moment of 0.33 μB for Mo located on top of Fe I. For model II, no magnetism is induced due to weak N-S interfacial bonding, and the semiconducting nature of monolayer MoS2 is preserved. Charge transfer between MoS2 and N results in p-type MoS2 with Schottky barrier heights of 0.5-0.6 eV. Our results demonstrate that the interfacial geometry and hybridization can be used to tune the magnetism and doping in Fe4N(111)/MoS2(√3 × √3) superlattices. © 2014 American Chemical Society.

  17. Magnetism by interfacial hybridization and p-type doping of MoS2 in Fe4N/MoS2 superlattices: A first-principles study

    KAUST Repository

    Feng, Nan; Mi, Wenbo; Cheng, Yingchun; Guo, Zaibing; Schwingenschlö gl, Udo; Bai, Haili

    2014-01-01

    Magnetic and electronic properties of Fe4N(111)/MoS 2(√3 × √3) superlattices are investigated by first-principles calculations, considering two models: (I) FeIFe II-S and (II) N-S interfaces, each with six stacking configurations. In model I, strong interfacial hybridization between FeI/Fe II and S results in magnetism of monolayer MoS2, with a magnetic moment of 0.33 μB for Mo located on top of Fe I. For model II, no magnetism is induced due to weak N-S interfacial bonding, and the semiconducting nature of monolayer MoS2 is preserved. Charge transfer between MoS2 and N results in p-type MoS2 with Schottky barrier heights of 0.5-0.6 eV. Our results demonstrate that the interfacial geometry and hybridization can be used to tune the magnetism and doping in Fe4N(111)/MoS2(√3 × √3) superlattices. © 2014 American Chemical Society.

  18. Quark charge retention in final state hadrons form deep inelastic muon scattering

    International Nuclear Information System (INIS)

    Albanese, J.P.; Blum, D.; Heusse, P.; Jaffre, M.; Jacholkowska, A.; Pascaud, C.; Carr, J.; Chima, J.S.; Clifft, R.; Edwards, M.; Norton, P.R.; Oakham, F.G.; Thompson, J.C.; Figiel, J.; Hoppe, C.; Janata, F.; Preissner, H.; Rondio, E.; Studt, M.; La Torre, A. de; Dengler, F.; Derado, I.; Eckardt, V.; Manz, A.; Schmitz, N.; Shiers, J.; Wolf, G.; Arneodo, M.; Arvidson, A.; Aubert, J.J.; Becks, K.H.; Bee, C.; Benchouk, C.; Bird, I.; Boehm, E.; Braun, H.; Brown, S.; Brueck, H.; Calen, H.; Callebaut, D.; Cobb, J.H.; Combley, F.; Coughlan, J.; Court, G.R.; D'Agostini, G.; Dahlgren, S.; Davies, J.K.; Dau, W.D.; Dreyer, T.; Drees, J.; Dumont, J.J.; Dueren, M.; Edwards, A.; Ernst, T.; Ferrero, M.I.; Foster, J.; Gamet, R.; Geddes, N.; Giubellino, P.; Grafstroem, P.; Grard, F.; Gustafsson, L.; Haas, J.; Hagberg, E.; Hasert, F.J.; Hayman, P.; Johnson, A.S.; Kabuss, E.M.; Krueger, J.; Kullander, S.; Landgraf, U.; Lanske, D.; Loken, J.; Long, K.; Mohr, W.; Montanet, F.; Mount, R.P.; Paul, L.; Payre, P.; Peroni, C.; Pettingale, J.; Poetsch, M.; Renton, P.; Rith, K.; Schlagboehmer, A.; Schroeder, T.; Schultze, K.; Sloan, T.; Stier, H.E.; Stockhausen, W.; Taylor, G.; Wahlen, H.; Wallucks, W.; Whalley, M.; Williams, W.S.C.; Wheeler, S.; Wimpenny, S.; Windmolders, R.

    1984-01-01

    The net charge of final state hadrons in both the current and target fragmentation regions has been measured in a 280 GeV/c muon-proton scattering experiment. A clean kinematic separation of the two regions in the centre-of-mass rapidity is demonstrated. The dependence on chisub(Bj) of the mean net charges is found to be consistent with a large contribution of sea quarks at small chisub(Bj) and with the dominance of valence quarks at large chisub(Bj) thus giving clear confirmation of the quark-parton model. It is also shown that the leading forward hadron has a high probability of containing the struck quark. (orig.)

  19. Surface force analysis of molecular interfacial interactions of proteins and lipids with polymeric biomaterials

    International Nuclear Information System (INIS)

    Hamilton-Brown, P.; Griesser, H.J.; Meagher, L.

    2001-01-01

    Full text: Adverse biological responses to biomedical devices are often caused by the irreversible accumulation of biological deposits onto the surfaces of devices. Such deposits cause blocking of artificial blood vessels, fibrous encapsulation of soft tissue regenerative devices, 'fouling' of contact lenses, secondary cataracts on intraocular lenses, and other undesirable events that interfere with the intended functions of biomedical devices. The formation of deposits is triggered by an initial stage in which various proteins and lipids rapidly adsorb onto the synthetic material surface; further biological molecules and ultimately cellular entities (e.g., host cells, bacteria) then settle onto the initial adsorbed layer. Hence, to avoid or control the accumulation of biological deposits, molecular understanding is required of the initial adsorption processes. Such adsorption is caused by attractive interfacial forces, which we are characterising by the use of a novel method. In the present study, polymeric thin film coatings, polyethylene oxide (PEO), and polysaccharide coatings have been analysed in terms of their surface forces and the ensuing propensity for protein and lipid adsorption. Interfacial forces are measured using atomic force microscopy (AFM) with a colloid-modified tip in a liquid cell using solutions of physiological pH and ionic strength. The chemical composition and uniformity of the coatings was characterised by X-ray Photon Spectroscopy (XPS). For a polymeric solid coating, repulsive forces have been measured against a silica colloid probe, and the dominant surface force is electrostatic. For the highly hydrated, 'soft' PEO and polysaccharide coatings, on the other hand, steric/entropic forces are also significant and contribute to interfacial interactions with proteins and lipids. In one system we have observed a time dependence of the electrostatic surface potential, which affects interaction with charged proteins. Force measurements were

  20. Basic equations of interfacial area transport in gas-liquid two-phase flow

    International Nuclear Information System (INIS)

    Kataoka, I.; Yoshida, K.; Naitoh, M.; Okada, H.; Morii, T.

    2011-01-01

    The rigorous and consistent formulations of basic equations of interfacial area transport were derived using correlation functions of characteristic function of each phase and velocities of each phase. Turbulent transport term of interfacial area concentration was consistently derived and related to the difference between interfacial velocity and averaged velocity of each phase. Constitutive equations of turbulent transport terms of interfacial area concentration were proposed for bubbly flow. New transport model and constitutive equations were developed for churn flow. These models and constitutive equations are validated by experimental data of radial distributions of interfacial area concentration in bubbly and churn flow. (author)

  1. Coordinating plug-in electric vehicle charging with electric grid: Valley filling and target load following

    Science.gov (United States)

    Zhang, Li; Jabbari, Faryar; Brown, Tim; Samuelsen, Scott

    2014-12-01

    Plug-in electric vehicles (PEVs) shift energy consumption from petroleum to electricity for the personal transportation sector. This work proposes a decentralized charging protocol for PEVs with grid operators updating the cost signal. Each PEV calculates its own optimal charging profile only once based on the cost signal, after it is plugged in, and sends the result back to the grid operators. Grid operators only need to aggregate charging profiles and update the load and cost. The existing PEV characteristics, national household travel survey (NHTS), California Independent System Operator (CAISO) demand, and estimates for future renewable generation in California are used to simulate PEV operation, PEV charging profiles, grid demand, and grid net load (demand minus renewable). Results show the proposed protocol has good performance for overnight net load valley filling if the costs to be minimized are proportional to the net load. Annual results are shown in terms of overnight load variation and comparisons are made with grid level valley filling results. Further, a target load can be approached in the same manner by using the gap between current load and the target load as the cost. The communication effort involved is quite modest.

  2. Interfacial symmetry of Co–Alq{sub 3}–Co hybrid structures for effective spin filtering

    Energy Technology Data Exchange (ETDEWEB)

    Lam, Tu-Ngoc [Department of Materials Science and Engineering, National Chiao Tung University, Hsinchu 30010, Taiwan, ROC (China); Lai, Yu-Ling; Chen, Chih-Han [National Synchrotron Radiation Research Center, 101 Hsin-Ann Road, Hsinchu Science Park, Hsinchu 30076, Taiwan, ROC (China); Chen, Po-Hung [Department of Engineering and System Science, National Tsing Hua University, Hsinchu 30013, Taiwan, ROC (China); Wei, Der-Hsin; Lin, Hong-Ji; Chen, C.T. [National Synchrotron Radiation Research Center, 101 Hsin-Ann Road, Hsinchu Science Park, Hsinchu 30076, Taiwan, ROC (China); Sheu, Jeng-Tzong, E-mail: jtsheu@faculty.nctu.edu.tw [Department of Materials Science and Engineering, National Chiao Tung University, Hsinchu 30010, Taiwan, ROC (China); Hsu, Yao-Jane, E-mail: yjhsu@nsrrc.org.tw [National Synchrotron Radiation Research Center, 101 Hsin-Ann Road, Hsinchu Science Park, Hsinchu 30076, Taiwan, ROC (China); Institute of Electro-Optical Science and Engineering, National Cheng Kung University, Tainan 701, Taiwan, ROC (China)

    2015-11-01

    Graphical abstract: - Highlights: • The spin interface at Alq{sub 3}/Co and Co/Alq{sub 3} contacts was examined. • An interfacial symmetry was determined at Co–Alq{sub 3}–Co interfaces. • Spin-polarized N orbitals are induced within the Co atop Alq{sub 3} hybridized interface. • The spin-filter role at the top contact interface of Alq{sub 3}/Co is proved. • Effective spin-filtering at Co–Alq{sub 3}–Co contacts was elucidated. - Abstract: Understanding the interfacial behavior at FM-OSC-FM hybrid structures for both the bottom contact (Alq{sub 3} adsorption on Co, Co/Alq{sub 3}) and the top contact (Co atop Alq{sub 3}, Alq{sub 3}/Co) is crucial for efficient spin filtering with transport of spin-polarized charge carriers through these interfaces. X-ray photoelectron spectroscopy (XPS) spectra indicate a symmetry of charge transfer from Co to Alq{sub 3} and the corresponding orbital hybridization to a certain extent at both contacts. The alignment of energy levels at both Alq{sub 3}/Co and Co/Alq{sub 3} heterostructures is depicted with ultraviolet photoelectron spectroscopy (UPS). Through magnetic images acquired with a X-ray photoemission electron microscope (XPEEM), the strong hybridization of the top contact presents no micromagnetic domain but still shows magnetic coupling, to some extent, to the bottom contact in the Co–Alq{sub 3}–Co trilayer structure. Measurements of X-ray magnetic circular dichroism (XMCD) demonstrate the induced spin-polarization of non-magnetic Alq{sub 3} at both contacts, proving Alq{sub 3} a unique and promising organic material for spin filtering in OSV.

  3. Interfacial thermal conductance in multilayer graphene/phosphorene heterostructure

    International Nuclear Information System (INIS)

    Zhang, Ying-Yan; Pei, Qing-Xiang; Mai, Yiu-Wing; Lai, Siu-Kai

    2016-01-01

    Vertical integration of 2D materials has recently appeared as an effective method for the design of novel nano-scale devices. Using non-equilibrium molecular dynamics simulations, we study the interfacial thermal transport property of graphene/phosphorene heterostructures where phosphorene is sandwiched in between graphene. Various modulation techniques are thoroughly explored. We found that the interfacial thermal conductance at the interface of graphene and phosphorene can be enhanced significantly by using vacancy defects, hydrogenation and cross-plane compressive strain. By contrast, the reduction in the interfacial thermal conductance can be achieved by using cross-plane tensile strain. Our results provide important guidelines for manipulating the thermal transport in graphene/phosphorene based-nano-devices. (paper)

  4. Computing optimal interfacial structure of modulated phases

    OpenAIRE

    Xu, Jie; Wang, Chu; Shi, An-Chang; Zhang, Pingwen

    2016-01-01

    We propose a general framework of computing interfacial structures between two modulated phases. Specifically we propose to use a computational box consisting of two half spaces, each occupied by a modulated phase with given position and orientation. The boundary conditions and basis functions are chosen to be commensurate with the bulk structures. It is observed that the ordered nature of modulated structures stabilizes the interface, which enables us to obtain optimal interfacial structures...

  5. Studies on the disbonding initiation of interfacial cracks.

    Energy Technology Data Exchange (ETDEWEB)

    McAdams, Brian J. (Lehigh University, Bethlehem, PA); Pearson, Raymond A. (Lehigh University, Bethlehem, PA)

    2005-08-01

    With the continuing trend of decreasing feature sizes in flip-chip assemblies, the reliability tolerance to interfacial flaws is also decreasing. Small-scale disbonds will become more of a concern, pointing to the need for a better understanding of the initiation stage of interfacial delamination. With most accepted adhesion metric methodologies tailored to predict failure under the prior existence of a disbond, the study of the initiation phenomenon is open to development and standardization of new testing procedures. Traditional fracture mechanics approaches are not suitable, as the mathematics assume failure to originate at a disbond or crack tip. Disbond initiation is believed to first occur at free edges and corners, which act as high stress concentration sites and exhibit singular stresses similar to a crack tip, though less severe in intensity. As such, a 'fracture mechanics-like' approach may be employed which defines a material parameter--a critical stress intensity factor (K{sub c})--that can be used to predict when initiation of a disbond at an interface will occur. The factors affecting the adhesion of underfill/polyimide interfaces relevant to flip-chip assemblies were investigated in this study. The study consisted of two distinct parts: a comparison of the initiation and propagation phenomena and a comparison of the relationship between sub-critical and critical initiation of interfacial failure. The initiation of underfill interfacial failure was studied by characterizing failure at a free-edge with a critical stress intensity factor. In comparison with the interfacial fracture toughness testing, it was shown that a good correlation exists between the initiation and propagation of interfacial failures. Such a correlation justifies the continuing use of fracture mechanics to predict the reliability of flip-chip packages. The second aspect of the research involved fatigue testing of tensile butt joint specimens to determine lifetimes at sub

  6. Biomimetic Interfacial Electron-Induced Electrochemiluminesence.

    Science.gov (United States)

    Pu, Guiqiang; Zhang, Dongxu; Mao, Xiang; Zhang, Zhen; Wang, Huan; Ning, Xingming; Lu, Xiaoquan

    2018-04-17

    We provide here, for the first time, a new interfacial electron-induced electrochemiluminescence (IEIECL) system, realizing bionic construction of bioluminescence (BL) by exploiting electrochemiluminescence (ECL) and ITIES (the interface between two immiscible electrolyte solutions). Significantly, the superiority of the IEIECL system is embodied with the solution of the two bottlenecks encountered in the conventional ECL innovation: that are (a) the applications of hydrophobic luminophores in more commonly used aqueous solution are inhibited tremendously due to the poor inherent solubility and the instability of radicals and (b) the analytes, insoluble in water, are hard to be discovered in an aqueous system because of too little content. More productive IEIECL radiation, analogous to BL, originates from the triplet excited state porphyrin in comparison to the homogeneous ECL. The mechanism of IEIECL, as well as the interaction mechanism between IEIECL and charge transfer (comprising electron transfer (ET), ion transfer (IT), and facilitated ion transfer (FIT)) at the ITIES, are explored in detail. Finally, we emphasize the actual application potential of the IEIECL system with the detection of cytochrome c (Cyt c); it is a key biomolecule in the electron transport chain in the process of biological oxidation and is also an intermediate species in apoptosis. Potentially, the IEIECL system permits ones to explore the lifetime and diffusion path of free radicals, as well as imparting a possibility for the construction of a bionic sensor.

  7. Divergence in intense ion beams caused by incomplete charge neutralization

    International Nuclear Information System (INIS)

    Olson, C.L.; Poukey, J.W.

    1993-01-01

    Space charge neutralization for light ion fusion (LIF) ion beam transport is usually assumed to be perfect in the open-quotes charge-neutralclose quotes region of the diode and in the gas transport cell. However, small charge clumps in the beam will not be totally charge-neutralized, and the residual net space charge may contribute to the beam microdivergence θ μ . If the net potential of the clump is limited only by electron trapping, the minimum potential will be eφ ∼ 1/2 m e v i 2 where m e is the electron mass and v i is the ion velocity. For proton beams this leads to θ μ ∼ (m e /M p ) 1/2 ∼ 23 mrad, where M p is the proton rest mass. For non-protonic beams, different results occur. The mechanism predicts (1) no dependence of θ μ on diode voltage, (2) non-protonic θ μ greater than proton θ μ for proton-contaminated beams, and (3) axial energy spread Δε parallel /ε parallel ∼ ±2 θ μ , which are all consistent with present data. Results of analytic studies and computer simulations of this mechanism are presented. Plasma shielding reduces the effects of this mechanism but collisions and magnetic fields reduce the plasma shielding effects. 2-D PIC MAGIC simulations show that this mechanism contributes to θ μ both in the open-quotes charge-neutralclose quotes region and in the gas transport region. It is concluded that this mechanism is especially important in the open-quotes charge-neutralclose quotes region

  8. Cosmology of a charged universe

    International Nuclear Information System (INIS)

    Barnes, A.

    1979-01-01

    The Proca generalization of electrodynamics admits the possibility that the universe could possess a net electric charge uniformly distributed throughout space, while possessing no electric field. A charged intergalactic (and intragalactic) medium of this kind could contain enough energy to be of cosmological importance. A general-relativistic model of cosmological expansion dominated by such a charged background has been calculated, and is consistent with present observational limits on the Hubble constant, the decleration parameter, and the age of the universe. However, if this cosmology applied at the present epoch, the very early expansion of the universe would have been much more rapid than in conventional ''big bang'' cosmologies, too rapid for cosmological nucleosynthesis or thermalization of the background radiation to have occurred. Hence, domination of the present expansion by background charge appears to be incompatible with the 3 K background and big-bang production of light elements. If the present background charge density were sufficiently small (but not strictly zero), expansion from the epoch of nucleosynthesis would proceed according to the conventional scenario, but the energy due to the background charge would have dominated at some earlier epoch. This last possibility leads to equality of pressure and energy density in the primordial universe, a condition of special significance in certain cosmological theories

  9. Hairy Graphenes: Wrapping Nanocellulose Nets around Graphene Oxide Sheets.

    Science.gov (United States)

    Xiong, Rui; Kim, Ho Shin; Korolovych, Volodymyr F; Zhang, Shuaidi; Yingling, Yaroslava; Tsukruk, Vladimir V

    2018-04-17

    Constructing advanced functional nanomaterials with pre-designed organized morphologies from low-dimension synthetic and biological components is extremely challenging because of complex inter-component interactions, high-aspect ratios, flexible shapes, crumpling instabilities and limited common wet-chemistry processing conditions. Herein, we report an efficient and universal amphiphilicity-driven assembly strategy to construct "hairy" flexible hybrid nanosheets with the net of 1D cellulose nanofibers (CNFs) conformally wrapped around 2D graphene oxide (GO) monolayers. This interface-driven bio-synthetic assembly is facilitated by variable amphiphilic interfacial balance via tailoring the surface chemistry of flexible GO sheets as controllably pre-oxidized 2D template cores, resulting in individual sheets tightly surrounded by dense conformal nanocellulose network. These nanocellulose-net wrapped GO nanosheets demonstrate extremely high compressive elastic modulus above 180 GPa due to the strong bonding between nanofibers and GO sheets and arrest of the buckling events. This unique mechanical stability far exceeds the compressive instability limits of both individual components, 1D cellulose nanofibers and 2D graphene monolayers. Additionally, the presence of CNF reinforced nanocellulose network significantly enhances the wetting ability of initial hydrophobic reduced GO nanosheets, enabling the long-term stability of CNFs-rGO dispersion and allowing fast water transport combined with high filtration efficiency for CNFs-rGO membranes. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Interfacial area transport of subcooled boiling flow in a vertical annulus

    Energy Technology Data Exchange (ETDEWEB)

    Brooks, Caleb S.; Ozar, Basar; Hibiki, Takashi; Ishii, Mamoru, E-mail: ishii@purdue.edu

    2014-03-15

    Highlights: • Discussion of boiling and wall nucleation dataset obtained in a vertical annulus. • Overview of the interfacial area transport equation modeling in boiling flow. • Comparison of bubble departure diameter and frequency with existing models. • Evaluation of the interfacial area transport equation prediction in boiling flow. - Abstract: In an effort to improve the prediction of void fraction and heat transfer characteristics in two-phase systems, the two-group interfacial area transport equation has been developed for use with the two-group two-fluid model. The two-group approach treats spherical/distorted bubbles as Group-1 and cap/slug/churn-turbulent bubbles as Group-2. Therefore, the interfacial area transport of steam-water two-phase flow in a vertical annulus has been investigated experimentally, including bulk flow parameters and wall nucleation characteristics. The theoretical modeling of interfacial area transport equation with phase change terms is introduced and discussed along with the experimental results. Benchmark of the interfacial area transport equation is performed considering the effects of bubble interaction mechanisms such as bubble break-up and coalescence, as well as, effects of phase change mechanisms such as wall nucleation and condensation for subcooled boiling. From the benchmark, sensitivity in the constitutive relations for Group-1 phase change mechanisms, such as wall nucleation and condensation is clear. The Group-2 interfacial area transport is shown to be dominated by the interfacial heat transfer mechanism causing expansion of Group-1 bubbles into Group-2 bubbles in the boiling flow.

  11. Long-range interfacial electron transfer and electrocatalysis of molecular scale Prussian Blue nanoparticles linked to Au(111)-electrode surfaces by different chemical contacting groups

    DEFF Research Database (Denmark)

    Zhu, Nan; Ulstrup, Jens; Chi, Qijin

    2017-01-01

    We have explored interfacial electrochemical electron transfer (ET) and electrocatalysis of 5–6 nm Prussian Blue nanoparticles (PBNPs) immobilized on Au(111)-electrode surfaces via molecular wiring with variable-length, and differently functionalized thiol-based self-assembled molecular monolayers...... (SAMs). The SAMs contain positively (−NH3+) or negatively charged (–COO–) terminal group, as well an electrostatically neutral hydrophobic terminal group (–CH3). The surface microscopic structures of the immobilized PBNPs were characterized by high-resolution atomic force microscopy (AFM) directly...... in aqueous electrolyte solution under the same conditions as for electrochemical measurements. The PBNPs displayed fast and reversible interfacial ET on all the surfaces, notably in multi-ET steps as reflected in narrow voltammetric peaks. The ET kinetics can be controlled by adjusting the length of the SAM...

  12. Horizontal ichthyoplankton tow-net system with unobstructed net opening

    Science.gov (United States)

    Nester, Robert T.

    1987-01-01

    The larval fish sampler described here consists of a modified bridle, frame, and net system with an obstruction-free net opening and is small enough for use on boats 10 m or less in length. The tow net features a square net frame attached to a 0.5-m-diameter cylinder-on-cone plankton net with a bridle designed to eliminate all obstructions forward of the net opening, significantly reducing currents and vibrations in the water directly preceding the net. This system was effective in collecting larvae representing more than 25 species of fish at sampling depths ranging from surface to 10 m and could easily be used at greater depths.

  13. Interfacial structures in confined cap-turbulent and churn-turbulent flows

    International Nuclear Information System (INIS)

    Sun Xiaodong; Kim, Seungjin; Cheng Ling; Ishii, Mamoru; Beus, Stephen G.

    2004-01-01

    The objective of the present work is to study and model the interfacial structure development of air-water two-phase flow in a confined flow passage. Experiments of a total of 13 flow conditions in cap-turbulent and churn-turbulent flow regimes are carried out in a vertical air-water upward two-phase flow experimental loop with a test section of 200 mm in width and 10 mm in gap. Miniaturized four-sensor conductivity probes are used to measure local two-phase parameters at three different elevations for each flow condition. Bubble characteristics captured by the probes are categorized into two groups in view of the two-group interfacial area transport equation, i.e., spherical/distorted bubbles as Group 1 and cap/churn-turbulent bubbles as Group 2. The acquired local parameters are time-averaged void fraction, interfacial velocity, bubble number frequency, interfacial area concentration, and bubble Sauter mean diameter for each group of bubbles. Also, the line-averaged and area-averaged data are presented and discussed in detail. The comparisons of these parameters at different elevations demonstrate the development of interfacial structures along the flow direction due to bubble interactions and the hydrodynamic effects. Furthermore, these data can serve as one part of the experimental data for investigation of the interfacial area transport in a confined two-phase flow

  14. Interfacial Shear Strength and Adhesive Behavior of Silk Ionomer Surfaces.

    Science.gov (United States)

    Kim, Sunghan; Geryak, Ren D; Zhang, Shuaidi; Ma, Ruilong; Calabrese, Rossella; Kaplan, David L; Tsukruk, Vladimir V

    2017-09-11

    The interfacial shear strength between different layers in multilayered structures of layer-by-layer (LbL) microcapsules is a crucial mechanical property to ensure their robustness. In this work, we investigated the interfacial shear strength of modified silk fibroin ionomers utilized in LbL shells, an ionic-cationic pair with complementary ionic pairing, (SF)-poly-l-glutamic acid (Glu) and SF-poly-l-lysine (Lys), and a complementary pair with partially screened Coulombic interactions due to the presence of poly(ethylene glycol) (PEG) segments and SF-Glu/SF-Lys[PEG] pair. Shearing and adhesive behavior between these silk ionomer surfaces in the swollen state were probed at different spatial scales and pressure ranges by using functionalized atomic force microscopy (AFM) tips as well as functionalized colloidal probes. The results show that both approaches were consistent in analyzing the interfacial shear strength of LbL silk ionomers at different spatial scales from a nanoscale to a fraction of a micron. Surprisingly, the interfacial shear strength between SF-Glu and SF-Lys[PEG] pair with partially screened ionic pairing was greater than the interfacial shear strength of the SF-Glu and SF-Lys pair with a high density of complementary ionic groups. The difference in interfacial shear strength and adhesive strength is suggested to be predominantly facilitated by the interlayer hydrogen bonding of complementary amino acids and overlap of highly swollen PEG segments.

  15. Curvature dependence of the electrolytic liquid-liquid interfacial tension

    NARCIS (Netherlands)

    Bier, Markus; de Graaf, J.; Zwanikken, J.W.; van Roij, R.H.H.G.

    2009-01-01

    The interfacial tension of a liquid droplet surrounded by another liquid in the presence of microscopic ions is studied as a function of the droplet radius. An analytical expression for the interfacial tension is obtained within a linear Poisson–Boltzmann theory and compared with numerical results

  16. Interfacial stresses in strengthened beam with shear cohesive zone ...

    Indian Academy of Sciences (India)

    The results of parametric study are compared with those of Smith and Teng. They confirm the accuracy of the proposed approach in predicting both interfacial shear and normal stresses. Keywords. Strengthened beam; interfacial stresses; cohesive zone; shear deformation. 1. Introduction. The FRP plates can be either ...

  17. Interfacial Engineered Polyaniline/Sulfur-doped TiO2 Nanotube Arrays for Ultralong Cycle Lifetime Fiber-Shaped, Solid-State Supercapacitors.

    Science.gov (United States)

    Li, Chun; Wang, Zhuanpei; Li, Shengwen; Cheng, Jianli; Zhang, Yanning; Zhou, Jingwen; Yang, Dan; Tong, Dong-Ge; Wang, Bin

    2018-05-04

    Fiber-shaped supercapacitors (FSCs) have great potential in wearable electronics applications. However, the limited specific surface area and inadequate structural stability caused by the weak interfacial interactions of the electrodes result in relatively low specific capacitance and unsatisfactory cycle lifetime. Herein, solid-state FSCs with high energy density and ultralong cycle lifetime based on polyaniline (PANI)/sulfur-doped TiO2 nanotubes array (PANI/S-TiO2) are fabricated by interfacial engineering. The experimental results and ab initio calculations reveal that S doping can effectively promote the conductivity of titania nanotubes and increase the binding energy of PANI anchored on the electrode surface, leading to much stronger binding of PANI on the surface of the electrode and excellent electrode structure stability. As a result, the FSCs using the PANI/S-TiO2 electrodes deliver a high specific capacitance of 91.9 mF cm-2, a capacitance retention of 93.78% after 12,000 charge/discharge cycles, and an areal energy density of 3.2 µWh cm-2, respectively. Meanwhile, the all-solid-state FSC device retains its excellent flexibility and stable electrochemical capacitance even after bending 150 cycles. The enhanced performances of FSCs could be attributed to the large surface area, short ion diffusion path, high electrical conductivity and engineered interfacial interaction of the rationally designed electrodes.

  18. Characteristic features of net information measures for constrained Coulomb potentials

    International Nuclear Information System (INIS)

    Patil, S H; Sen, K D; Watson, N A; Jr, H E Montgomery

    2007-01-01

    The dimensional analyses of the position and momentum variance based quantum mechanical Heisenberg uncertainty measure and the other useful net entropic information measures for the bound states of two constrained Coulomb potentials are reported for the first time. The potentials describe an electron moving in the central field due to a nucleus of charge Z with radius R defining the constraints as (a) the truncated potential given by -Z/(r n +R n ) 1/n , and (b) the radius of the impenetrable spherical wall. The net information measures for the two potentials are explicitly shown to be independent of the scaling of the set [Z, R] at a fixed value of ZR. Analytic proof is presented, for the first time, showing the presence of a characteristic extremum in the variation of the net information entropy as a function of the radius R with its location scaling as Z -1 . Numerical results are presented which support the validity of the scaling properties

  19. Performance improvement of charge-trap memory by using a stacked Zr_0_._4_6Si_0_._5_4O_2/Al_2O_3 charge-trapping layer

    International Nuclear Information System (INIS)

    Tang, Zhenjie; Hu, Dan; Zhang, Xiwei; Zhao, Yage; Li, Rong

    2016-01-01

    The postdeposition annealing (PDA)-treated charge-trap flash memory capacitor with stacked Zr_0_._4_6Si_0_._5_4O_2/Al_2O_3 charge-trapping layer flanked by a SiO_2 tunneling oxide and an Al_2O_3 blocking oxide was fabricated and investigated. It is observed that the memory capacitor exhibits prominent memory characteristics with large memory windows 12.8 V in a ±10 V gate sweeping voltage range, faster program/erase speed, and good data-retention characteristics even at 125 C compared to a single charge-trapping layer (Zr_0_._4_6Si_0_._5_4O_2, Zr_0_._7_9Si_0_._2_1O_2, and Zr_0_._4_6Al_1_._0_8O_2_._5_4). The quantum wells and introduced interfacial traps of the stacked trapping layer regulate the storage and loss behavior of charges, and jointly contribute to the improved memory characteristics. Hence, the memory capacitor with a stacked trapping layer is a promising candidate in future nonvolatile charge-trap memory device design and application. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  20. Interfacial shear behavior of composite flanged concrete beams

    Directory of Open Access Journals (Sweden)

    Moataz Awry Mahmoud

    2014-08-01

    Full Text Available Composite concrete decks are commonly used in the construction of highway bridges due to their rapid constructability. The interfacial shear transfer between the top slab and the supporting beams is of great significance to the overall deck load carrying capacity and performance. Interfacial shear capacity is directly influenced by the distribution and the percentage of shear connectors. Research and design guidelines suggest the use of two different approaches to quantify the required interfacial shear strength, namely based on the maximum compressive forces in the flange at mid span or the maximum shear flow at the supports. This paper investigates the performance of flanged reinforced concrete composite beams with different shear connector’s distribution and reinforcing ratios. The study incorporated both experimental and analytical programs for beams. Key experimental findings suggest that concentrating the connectors at the vicinity of the supports enhances the ductility of the beam. The paper proposes a simple and straight forward approach to estimate the interfacial shear capacity that was proven to give good correlation with the experimental results and selected code provisions. The paper presents a method to predict the horizontal shear force between precast beams and cast in-situ slabs.

  1. Liquid-liquid interfacial tension of electrolyte solutions

    OpenAIRE

    Bier, Markus; Zwanikken, Jos; van Roij, Rene

    2008-01-01

    It is theoretically shown that the excess liquid-liquid interfacial tension between two electrolyte solutions as a function of the ionic strength I behaves asymptotically as O(- I^0.5) for small I and as O(+- I) for large I. The former regime is dominated by the electrostatic potential due to an unequal partitioning of ions between the two liquids whereas the latter regime is related to a finite interfacial thickness. The crossover between the two asymptotic regimes depends sensitively on mat...

  2. Cold welding of organic light emitting diode: Interfacial and contact models

    Directory of Open Access Journals (Sweden)

    J. Asare

    2016-06-01

    Full Text Available This paper presents the results of an analytical and computational study of the contacts and interfacial fracture associated with the cold welding of Organic Light Emitting diodes (OLEDs. The effects of impurities (within the possible interfaces are explored for contacts and interfacial fracture between layers that are relevant to model OLEDs. The models are used to study the effects of adhesion, pressure, thin film layer thickness and dust particle modulus (between the contacting surfaces on contact profiles around impurities between cold-welded thin films. The lift-off stage of thin films (during cold welding is then modeled as an interfacial fracture process. A combination of adhesion and interfacial fracture theories is used to provide new insights for the design of improved contact and interfacial separation during cold welding. The implications of the results are discussed for the design and fabrication of cold welded OLED structures.

  3. Monitoring the interfacial electric field in pure and doped SrTiO3 surfaces by means of phase-resolved optical second harmonic generation

    Science.gov (United States)

    Rubano, Andrea; Mou, Sen; Paparo, Domenico

    2018-05-01

    Oxides and new functional materials such as oxide-based hetero-structures are very good candidates to achieve the goal of the next generation electronics. One of the main features that rules the electronic behavior of these compounds is the interfacial electric field which confines the charge carriers to a quasi-two-dimensional space region. The sign of the confined charge clearly depends on the electric field direction, which is however a very elusive quantity, as most techniques can only detect its absolute value. Even more valuable would be to access the sign of the interfacial electric field directly during the sample growth, being thus able to optimize the growth conditions directly looking at the feature of interest. For this aim, solid and reliable sensors are needed for monitoring the thin films while grown. Recently optical second harmonic generation has been proposed by us as a tool for non-invasive, non-destructive, real-time, in-situ imaging of oxide epitaxial film growth. The spatial resolution of this technique has been exploited to obtain real-time images of the sample under investigation. Here we propose to exploit another very important physical property of the second harmonic wave: its phase, which is directly coupled with the electric field direction, as shown by our measurements.

  4. Experimental and numerical studies on penetration of shaped charge into concrete and pebble layered targets

    Directory of Open Access Journals (Sweden)

    C Wang

    2017-09-01

    Full Text Available Experiments on penetrating into concrete and pebble layered targets were performed by shaped charge with different cone angles, liner wall thicknesses, length to diameter ratios and charge diameters at different standoffs. Based on the experimental data, the influence of shaped charge’s structural parameters on crater diameter, hole diameter, crater depth and penetration depth was analyzed in detail. Meanwhile, formation and penetration processes of all shaped charges were simulated by AUTODYN software for investigating the more intrinsic mechanisms, in which the numerical models are the same as those set up in the experiments. The results obtained in this paper indicate that there are obvious differences between jetting projectile charge (JPC and explosively formed projectile (EFP in penetrating into multi-layer targets. For the same charge diameter, the values of hole diameter formed by EFP were much larger than JPC. However, for the same standoff, the penetration depth caused by JCP were larger than EFP. The interfacial effect exists in the penetration progress of JPC.

  5. Interfacial compatibility of polymer-based structures in electronics

    OpenAIRE

    Turunen, Markus P. K.

    2004-01-01

    Interfacial compatibility of dissimilar materials was investigated to achieve a better understanding of interfacial adhesion in metal/polymer/metal systems. Surface modifications of polymers were applied to improve the adhesion. The modified surfaces were characterised by scanning electron microscopy (SEM), atomic force microscopy (AFM), X-ray photoelectron spectroscopy (XPS) and contact angle measurements accompanied by surface free energy evaluations. The pull-off test was employed to asses...

  6. Optimization of charge transfer and transport processes at the CdSe quantum dots/TiO2 nanorod interface by TiO2 interlayer passivation

    International Nuclear Information System (INIS)

    Jaramillo-Quintero, O A; Rincon, M E; Triana, M A

    2017-01-01

    Surface trap states hinder charge transfer and transport properties in TiO 2 nanorods (NRs), limiting its application on optoelectronic devices. Here, we study the interfacial processes between rutile TiO 2 NR and CdSe quantum dots (QDs) using TiO 2 interlayer passivation treatments. Anatase or rutile TiO 2 thin layers were deposited on an NR surface by two wet-chemical deposition treatments. Reduced interfacial charge recombination between NRs and CdSe QDs was observed by electrochemical impedance spectroscopy with the introduction of TiO 2 thin film interlayers compared to bare TiO 2 NRs. These results can be ascribed to in-gap trap state passivation of the TiO 2 NR surface, which led to an increase in open circuit voltage. Moreover, the rutile thin layer was more efficient than anatase to promote a higher photo-excited electron transfer from CdSe QDs to TiO 2 NRs due to a large driving force for charge injection, as confirmed by surface photovoltage spectroscopy. (paper)

  7. Single Molecule Spectroelectrochemistry of Interfacial Charge Transfer Dynamics In Hybrid Organic Solar Cell

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Shanlin [Univ. of Alabama, Tuscaloosa, AL (United States)

    2014-11-16

    Our research under support of this DOE grant is focused on applied and fundamental aspects of model organic solar cell systems. Major accomplishments are: 1) we developed a spectroelectorchemistry technique of single molecule single nanoparticle method to study charge transfer between conjugated polymers and semiconductor at the single molecule level. The fluorescence of individual fluorescent polymers at semiconductor surfaces was shown to exhibit blinking behavior compared to molecules on glass substrates. Single molecule fluorescence excitation anisotropy measurements showed the conformation of the polymer molecules did not differ appreciably between glass and semiconductor substrates. The similarities in molecular conformation suggest that the observed differences in blinking activity are due to charge transfer between fluorescent polymer and semiconductor, which provides additional pathways between states of high and low fluorescence quantum efficiency. Similar spectroelectrochemistry work has been done for small organic dyes for understand their charge transfer dynamics on various substrates and electrochemical environments; 2) We developed a method of transferring semiconductor nanoparticles (NPs) and graphene oxide (GO) nanosheets into organic solvent for a potential electron acceptor in bulk heterojunction organic solar cells which employed polymer semiconductor as the electron donor. Electron transfer from the polymer semiconductor to semiconductor and GO in solutions and thin films was established through fluorescence spectroscopy and electroluminescence measurements. Solar cells containing these materials were constructed and evaluated using transient absorption spectroscopy and dynamic fluorescence techniques to understand the charge carrier generation and recombination events; 3) We invented a spectroelectorchemistry technique using light scattering and electroluminescence for rapid size determination and studying electrochemistry of single NPs in an

  8. A Maple Program That Illustrates the Effect of pH on Peptide Charge

    Science.gov (United States)

    Sokolik, Charles W.

    1998-11-01

    One topic covered early in an introductory biochemistry course is acid-base chemistry and the Henderson-Hasselbalch equation (buffer equation). Using this equation a biochemistry student can determine the partial charges of amino acids in a peptide chain. This is an important concept to master for a student who is learning the structure-function relationship in proteins. The program described in this paper, written for Maple V, release 3 (Waterloo Maple Software, Waterloo, ON, Canada), uses the Henderson-Hasselbalch equation to calculate the partial charges of individual amino acids and the net charge of a peptide over the pH range 0 to 14. The amino acid sequence of a peptide is entered and an animated histogram is displayed illustrating the partial charge of the amino acids over the pH range. A graph showing the net charge of the peptide from pH 0 to 14 is also given. The program has been used with success in an introductory biochemistry course as an in-class demonstration as well as for individual homework assignments. The program is available through the Web page of the Journal of Chemical Education.

  9. Interfacial Micromechanics in Fibrous Composites: Design, Evaluation, and Models

    Science.gov (United States)

    Lei, Zhenkun; Li, Xuan; Qin, Fuyong; Qiu, Wei

    2014-01-01

    Recent advances of interfacial micromechanics in fiber reinforced composites using micro-Raman spectroscopy are given. The faced mechanical problems for interface design in fibrous composites are elaborated from three optimization ways: material, interface, and computation. Some reasons are depicted that the interfacial evaluation methods are difficult to guarantee the integrity, repeatability, and consistency. Micro-Raman study on the fiber interface failure behavior and the main interface mechanical problems in fibrous composites are summarized, including interfacial stress transfer, strength criterion of interface debonding and failure, fiber bridging, frictional slip, slip transition, and friction reloading. The theoretical models of above interface mechanical problems are given. PMID:24977189

  10. Interfacial Energy Alignment at the ITO/Ultra-Thin Electron Selective Dielectric Layer Interface and Its Effect on the Efficiency of Bulk-Heterojunction Organic Solar Cells.

    Science.gov (United States)

    Itoh, Eiji; Goto, Yoshinori; Saka, Yusuke; Fukuda, Katsutoshi

    2016-04-01

    We have investigated the photovoltaic properties of an inverted bulk heterojunction (BHJ) cell in a device with an indium-tin-oxide (ITO)/electron selective layer (ESL)/P3HT:PCBM active layer/MoOx/Ag multilayered structure. The insertion of only single layer of poly(diallyl-dimethyl-ammonium chloride) (PDDA) cationic polymer film (or poly(ethyleneimine) (PEI) polymeric interfacial dipole layer) and titanium oxide nanosheet (TN) films as an ESL effectively improved cell performance. Abnormal S-shaped curves were observed in the inverted BHJ cells owing to the contact resistance across the ITO/active layer interface and the ITO/PDDA/TN/active layer interface. The series resistance across the ITO/ESL interface in the inverted BHJ cell was successfully reduced using an interfacial layer with a positively charged surface potential with respect to ITO base electrode. The positive dipole in PEI and the electronic charge phenomena at the electrophoretic deposited TN (ED-TN) films on ITO contributed to the reduction of the contact resistance at the electrode interface. The surface potential measurement revealed that the energy alignment by the transfer of electronic charges from the ED-TN to the base electrodes. The insertion of the ESL with a large positive surface potential reduced the potential barrier for the electron injection at ITO/TN interface and it improved the photovoltaic properties of the inverted cell with an ITO/TN/active layer/MoOx/Ag structure.

  11. Quantitative analysis of charge trapping and classification of sub-gap states in MoS2 TFT by pulse I-V method

    Science.gov (United States)

    Park, Junghak; Hur, Ji-Hyun; Jeon, Sanghun

    2018-04-01

    The threshold voltage instabilities and huge hysteresis of MoS2 thin film transistors (TFTs) have raised concerns about their practical applicability in next-generation switching devices. These behaviors are associated with charge trapping, which stems from tunneling to the adjacent trap site, interfacial redox reaction and interface and/or bulk trap states. In this report, we present quantitative analysis on the electron charge trapping mechanism of MoS2 TFT by fast pulse I-V method and the space charge limited current (SCLC) measurement. By adopting the fast pulse I-V method, we were able to obtain effective mobility. In addition, the origin of the trap states was identified by disassembling the sub-gap states into interface trap and bulk trap states by simple extraction analysis. These measurement methods and analyses enable not only quantitative extraction of various traps but also an understanding of the charge transport mechanism in MoS2 TFTs. The fast I-V data and SCLC data obtained under various measurement temperatures and ambient show that electron transport to neighboring trap sites by tunneling is the main charge trapping mechanism in thin-MoS2 TFTs. This implies that interfacial traps account for most of the total sub-gap states while the bulk trap contribution is negligible, at approximately 0.40% and 0.26% in air and vacuum ambient, respectively. Thus, control of the interface trap states is crucial to further improve the performance of devices with thin channels.

  12. Temperature and compositional dependence of solid-liquid interfacial energy: application of the Cahn-Hilliard theory

    International Nuclear Information System (INIS)

    Shimizu, I.; Takei, Y.

    2005-01-01

    A simple thermodynamic method to estimate the solid-liquid interfacial energy (or interfacial tension) is proposed, based on the Cahn-Hilliard theory. In the model, the liquid is treated as a regular solution, and the interfacial layers are assumed to have liquid-like thermodynamic properties. In eutectic systems, interfacial adsorption occurs within a few atomic layers, and interfacial energy monotonously increases with decreasing concentration of the solid species in the liquid phase. If non-ideal atomic interaction is strong and the liquid immiscibility region appears in the phase diagrams (this is the case of monotectic systems), the interfacial thickness drastically increases and the interfacial energy is reduced around the immiscibility gap

  13. Interfacial Area and Interfacial Transfer in Two-Phase Flow Systems (Volume I. Chapters 1-5)

    Energy Technology Data Exchange (ETDEWEB)

    Guo, T.; Park, J.; Kojasoy, G.

    2003-03-15

    Experiments were performed on horizontal air-water bubbly two-phase flow, axial flow, stratified wavy flow, and annular flow. Theoretical studies were also undertaken on interfacial parameters for a horizontal two-phase flow.

  14. Interfacial Area and Interfacial Transfer in Two-Phase Flow Systems (Volume IV. Chapters 15-19)

    Energy Technology Data Exchange (ETDEWEB)

    Guo, T.; Park, J.; Kojasoy, G.

    2003-03-15

    Experiments were performed on horizontal air-water bubbly two-phase flow, axial flow, stratified wavy flow, and annular flow. Theoretical studies were also undertaken on interfacial parameters for a horizontal two-phase flow.

  15. Interfacial Area and Interfacial Transfer in Two-Phase Flow Systems (Volume II. Chapters 6-10)

    Energy Technology Data Exchange (ETDEWEB)

    Guo, T.; Park, J.; Kojasoy, G.

    2003-03-15

    Experiments were performed on horizontal air-water bubbly two-phase flow, axial flow, stratified wavy flow, and annular flow. Theoretical studies were also undertaken on interfacial parameters for a horizontal two-phase flow.

  16. Interfacial Area and Interfacial Transfer in Two-Phase Flow Systems (Volume III. Chapters 11-14)

    Energy Technology Data Exchange (ETDEWEB)

    Guo, T.; Park, J.; Kojasoy, G.

    2003-03-15

    Experiments were performed on horizontal air-water bubbly two-phase flow, axial flow, stratified wavy flow, and annular flow. Theoretical studies were also undertaken on interfacial parameters for a horizontal two-phase flow.

  17. Solution-processed small molecule:fullerene bulk-heterojunction solar cells: impedance spectroscopy deduced bulk and interfacial limits to fill-factors.

    Science.gov (United States)

    Guerrero, Antonio; Loser, Stephen; Garcia-Belmonte, Germà; Bruns, Carson J; Smith, Jeremy; Miyauchi, Hiroyuki; Stupp, Samuel I; Bisquert, Juan; Marks, Tobin J

    2013-10-21

    Using impedance spectroscopy, we demonstrate that the low fill factor (FF) typically observed in small molecule solar cells is due to hindered carrier transport through the active layer and hindered charge transfer through the anode interfacial layer (IFL). By carefully tuning the active layer thickness and anode IFL in BDT(TDPP)2 solar cells, the FF is increased from 33 to 55% and the PCE from 1.9 to 3.8%. These results underscore the importance of simultaneously optimizing active layer thickness and IFL in small molecule solar cells.

  18. Molecular dynamics study on interfacial thermal conductance of unirradiated and irradiated SiC/C

    International Nuclear Information System (INIS)

    Wang, Qingyu; Wang, Chenglong; Zhang, Yue; Li, Taosheng

    2014-01-01

    SiC f /SiC composite materials have been considered as candidate structural materials for several types of advanced nuclear reactors. Both experimental and computer simulations studies have revealed the degradation of thermal conductivity for this material after irradiation. The objective of this study is to investigate the effect of SiC/graphite interface structure and irradiation on the interfacial thermal conductance by using molecular dynamics simulation. Five SiC/graphite composite models were created with different interface structures, and irradiation was introduced near the interfaces. Thermal conductance was calculated by means of reverse-NEMD method. Results show that there is a positive correlation between the interfacial energy and interfacial C–Si bond quantity, and irradiated models showed higher interfacial energy compared with their unirradiated counterparts. Except the model with graphite atom plane parallel to the interface, the interfacial thermal conductance of unirradiated and irradiated (1000 eV) models, increases as the increase of interfacial energy, respectively. For all irradiated models, lattice defects are of importance in impacting the interfacial thermal conductance depending on the interface structure. For the model with graphite layer parallel to the interface, the interfacial thermal conductance increased after irradiation, for the other models the interfacial thermal conductance decreased. The vibrational density of states of atoms in the interfacial region was calculated to analyze the phonon mismatch at the interface

  19. Tuning the Interfacial Mechanical Behaviors of Monolayer Graphene/PMMA Nanocomposites.

    Science.gov (United States)

    Wang, Guorui; Dai, Zhaohe; Liu, Luqi; Hu, Hai; Dai, Qing; Zhang, Zhong

    2016-08-31

    The van der Waals (vdW) force dominated interface between graphene and polymer matrix creates weak points in the mechanical sense. Chemical functionalization was expected to be an effective approach in transfer of the outstanding performance of graphene across multiple length scales up to the macroscopic level, due to possible improvements in the interfacial adhesion. However, published works showed the contradiction that improvements, insensitivity, or even worsening of macro-mechanical performance have all been reported in graphene-based polymer nanocomposites. Particularly central cause of such discrepancy is the variations in graphene/polymer interfacial chemistry, which is critical in nanocomposites with vast interfacial area. Herein, O3/H2O gaseous mixture was utilized to oxidize monolayer graphene sheet with controlled functionalization degrees. Hydrogen bonds (H bonds) are expected to form between oxidized graphene sheet/poly(methyl methacrylate) (PMMA) at the interface. On the basis of in situ tensile-micro Raman spectroscopy, the impacts of bonding types (vdW and H-bonds) on both key interfacial parameters (such as interfacial shear strength and critical length) and failure modes of graphene/PMMA nanocomposite were clarified for the first time at the microscopic level. Our results show that owing to improved interfacial interaction via H bonds, the interface tends to be stiffening and strengthening. Moreover, the mechanical properties of the functionalized graphene/PMMA interface will be set by the competition between the enhanced interfacial adhesion and the degraded elastic modulus of graphene, which was caused by structural defects in the graphene sheet during the functionalization process and could lead to catastrophic failure of graphene sheets in our experimental observation. Our results will be helpful to design various nanofiller-based nanocomposites with high mechanical performance.

  20. Effect of interfacial layer on water flow in nanochannels: Lattice Boltzmann simulations

    Energy Technology Data Exchange (ETDEWEB)

    Jin, Yakang [State Key Laboratory of Heavy Oil Processing, China University of Petroleum, Qingdao, Shandong 266580 (China); College of Science, China University of Petroleum, Qingdao 266580, Shandong (China); Liu, Xuefeng, E-mail: liuxf@upc.edu.cn [College of Science, China University of Petroleum, Qingdao 266580, Shandong (China); Liu, Zilong [College of Science, China University of Petroleum, Qingdao 266580, Shandong (China); Lu, Shuangfang [Institute of Unconventional Oil & Gas and New Energy, China University of Petroleum, Qingdao 266580, Shandong (China); Xue, Qingzhong, E-mail: xueqingzhong@tsinghua.org.cn [State Key Laboratory of Heavy Oil Processing, China University of Petroleum, Qingdao, Shandong 266580 (China); College of Science, China University of Petroleum, Qingdao 266580, Shandong (China); National Production Equipment Research Center, Dongying 257064, Shandong (China)

    2016-04-15

    A novel interfacial model was proposed to understand water flow mechanism in nanochannels. Based on our pore-throat nanochannel model, the effect of interfacial layer on water flow in nanochannels was quantitatively studied using Lattice Boltzmann method (LBM). It is found that both the permeability of nanochannel and water velocity in the nanochannel dramatically decrease with increasing the thickness of interfacial layer. The permeability of nanochannel with pore radius of 10 nm decreases by about three orders of magnitude when the thickness of interfacial layer is changed from 0 nm to 3 nm gradually. Furthermore, it has been demonstrated that the cross-section shape has a great effect on the water flow inside nanochannel and the effect of interfacial layer on the permeability of nanochannel has a close relationship with cross-section shape when the pore size is smaller than 12 nm. Besides, both pore-throat ratio and throat length can greatly affect water flow in nanochannels, and the influence of interfacial layer on water flow in nanochannels becomes more evident with increasing pore-throat ratio and throat length. Our theoretical results provide a simple and effective method to study the flow phenomena in nano-porous media, particularly to quantitatively study the interfacial layer effect in nano-porous media.

  1. Study of Doubly Charged Delta Baryons in Collisions of Copper Nuclei at the Relativistic Heavy Ion Collider

    Science.gov (United States)

    2017-05-22

    connecting the three quarks. Composite particles composed of partons are known as “hadrons” and must have a neutral color charge. There are six... neutral charge of neutrons. The up quark has positive charge equivalent to two-thirds the charge of an electron, and the down quark has negative...known as “heavy ions.” An ion is an atom or molecule with net electric charge, bare nuclei have a large positive charge due to the absence of

  2. Interfacial behavior of alkaline protease at the air-water and oil-water interfaces

    Science.gov (United States)

    Zhang, Jian; Li, Yanyan; Wang, Jing; Zhang, Yue

    2018-03-01

    The interfacial behavior of alkaline protease at the air-water and n-hexane-water interfaces was investigated using interfacial tension, dilatational rheology and dynamic light scattering. Additionally, different adsorption models which are Langmuir, Frumkin, Reorientation-A and Reorientation-R were used to fitting the data of equilibrium interfacial tension for further understanding the interfacial behavior of alkaline protease. Data fitting of the equilibrium interfacial tension was achieved by IsoFit software. The results show that the molecules arrangement of the alkaline protease at the n-hexane-water interface is more tightly than at the air-water interface. The data were further analyzed to indicate that the hydrophobic chains of alkaline protease penetrate into oil phase deeper than the air phase. Also data indicate that the electrostatic interactions and hydrophobic interactions at the n-hexane-water interface are stronger than at the air-water interface within molecules of the alkaline protease. Based on comprehensive analysis of the adsorption kinetics and interfacial rheological properties, interfacial structures mechanism of alkaline protease at n-hexane-water and air-water interfaces was proposed.

  3. Aerosol Particle Interfacial Thermodynamics and Phase Partitioning Measurements Using Biphasic Microfluidics

    Science.gov (United States)

    Dutcher, Cari; Metcalf, Andrew

    2015-03-01

    Secondary organic aerosol particles are nearly ubiquitous in the atmosphere and yet there remain large uncertainties in their formation processes and ambient properties. These particles are complex microenvironments, which can contain multiple interfaces due to internal aqueous-organic phase partitioning and to the external liquid-vapor surface. Interfacial properties affect the ambient aerosol morphology, or internal structure of the particle, which in turn can affect the way a particle interacts with an environment of condensable clusters and organic vapors. To improve our ability to accurately predict ambient aerosol morphology, we must improve our knowledge of aerosol interfaces and their interactions with the ambient environment. Unfortunately, many techniques employed to measure interfacial properties do so in bulk solutions or in the presence of a ternary (e.g. solid) phase. In this talk, a novel method using biphasic microscale flows will be introduced for generating, trapping, and perturbing complex interfaces at atmospherically relevant conditions. These microfluidic experiments utilize high-speed imaging to monitor interfacial phenomena at the microscale and are performed with phase contrast and fluorescence microscopy on a temperature-controlled inverted microscope stage. From these experiments, interfacial thermodynamic properties such as surface or interfacial tension, rheological properties such as interfacial moduli, and kinetic properties such as mass transfer coefficients can be measured or inferred.

  4. Theory of interfacial charge-transfer complex photophysics in π-conjugated polymer-fullerene blends

    Science.gov (United States)

    Aryanpour, K.; Psiachos, D.; Mazumdar, S.

    2010-03-01

    We present a theory of the electronic structure and photophysics of 1:1 blends of derivatives of polyparaphenylenevinylene and fullerenes [1]. Within the same Coulomb-correlated Hamiltonian applied previously to interacting chains of single-component π-conjugated polymers [2], we find an exciplex state that occurs below the polymer's optical exciton. Weak absorption from the ground state occurs to the exciplex. We explain transient photoinduced absorptions in the blend [3], observed for both above-gap and below-gap photoexcitations, within our theory. Photoinduced absorptions for above-gap photoexcitation are from the optical exciton as well as the exciplex, while for below-gap photoexcitation induced absorptions are from the exciplex alone. In neither case are free polarons generated in the time scale of the experiment. Importantly, the photophysics of films of single-component π-conjugated polymers and blends can both be understood by extending Mulliken's theory of ground state charge-transfer to the case of excited state charge-transfer. [1] K. Aryanpour, D. Psiachos, and S. Mazumdar, arXiv:0908.0366 [2] D. Psiachos and S. Mazumdar, Phys. Rev. B. 79 155106 (2009) [3] T. Drori et al., Phys. Rev. Lett. 101, 037402 (2008)

  5. Determination of Interfacial Area in Gas-Liquid Two Phase by Light Transmission

    International Nuclear Information System (INIS)

    Ghiasi, H.; Safekordi, A. A.; Babazadeh Shareh, F.

    2012-01-01

    The purpose of the present paper is to develop light beam method to measurement of interfacial area in a rectangular gas-liquid bubble column. Total interfacial area can be determined in bubble column filled by transparent liquid by light transmission method. According to pervious researches, the fraction of parallel light is function of interfacial area and optical path length that these two parameters imply Transmission Number or N T . The drop diameters were measured in the range of 2.2 to 5 mm, and in this range, the specific area is found to depend only upon the light transmission. Three different systems with various liquid phases have been used in this work. It had been proved that light transmission method for dilute suspension or stationary gas phase has a good consequence. In this work, good agreement between actual and calculated interfacial area proves that light transmission method would be able to determine interfacial area in multiple scattering, and it is possible to use earlier mathematic model to measure interfacial area in multiple scattering in gas-liquid bubble columns.

  6. Solvation thermodynamics and heat capacity of polar and charged solutes in water

    Science.gov (United States)

    Sedlmeier, Felix; Netz, Roland R.

    2013-03-01

    The solvation thermodynamics and in particular the solvation heat capacity of polar and charged solutes in water is studied using atomistic molecular dynamics simulations. As ionic solutes we consider a F- and a Na+ ion, as an example for a polar molecule with vanishing net charge we take a SPC/E water molecule. The partial charges of all three solutes are varied in a wide range by a scaling factor. Using a recently introduced method for the accurate determination of the solvation free energy of polar solutes, we determine the free energy, entropy, enthalpy, and heat capacity of the three different solutes as a function of temperature and partial solute charge. We find that the sum of the solvation heat capacities of the Na+ and F- ions is negative, in agreement with experimental observations, but our results uncover a pronounced difference in the heat capacity between positively and negatively charged groups. While the solvation heat capacity ΔCp stays positive and even increases slightly upon charging the Na+ ion, it decreases upon charging the F- ion and becomes negative beyond an ion charge of q = -0.3e. On the other hand, the heat capacity of the overall charge-neutral polar solute derived from a SPC/E water molecule is positive for all charge scaling factors considered by us. This means that the heat capacity of a wide class of polar solutes with vanishing net charge is positive. The common ascription of negative heat capacities to polar chemical groups might arise from the neglect of non-additive interaction effects between polar and apolar groups. The reason behind this non-additivity is suggested to be related to the second solvation shell that significantly affects the solvation thermodynamics and due to its large spatial extent induces quite long-ranged interactions between solvated molecular parts and groups.

  7. Electric Double-Layer Interaction between Dissimilar Charge-Conserved Conducting Plates.

    Science.gov (United States)

    Chan, Derek Y C

    2015-09-15

    Small metallic particles used in forming nanostructured to impart novel optical, catalytic, or tribo-rheological can be modeled as conducting particles with equipotential surfaces that carry a net surface charge. The value of the surface potential will vary with the separation between interacting particles, and in the absence of charge-transfer or electrochemical reactions across the particle surface, the total charge of each particle must also remain constant. These two physical conditions require the electrostatic boundary condition for metallic nanoparticles to satisfy an equipotential whole-of-particle charge conservation constraint that has not been studied previously. This constraint gives rise to a global charge conserved constant potential boundary condition that results in multibody effects in the electric double-layer interaction that are either absent or are very small in the familiar constant potential or constant charge or surface electrochemical equilibrium condition.

  8. Interfacial stabilities of high-temperature composite materials

    International Nuclear Information System (INIS)

    Chang, Y.A.; DeKock, J.; Zhang, M.X.; Kieschke, R.

    1993-01-01

    The thermodynamic and kinetic principles necessary to control interfacial reactions between the matrix and reinforcement in composite materials are presented. The concept of interfacial control has been applied to Ti-based/Al 2 O 3 composite. Results are presented which include estimated diffusivities for the reaction in β-Ti/Al 2 O 3 composites, estimated phase relationships for the systems Ti-Al-O, Ti-Y-O, Nb-Y-O and Nb-Al-O at 1100 C, and a coating scheme for αAl 2 O 3 fibers. 71 refs

  9. Interfacial Properties of EXXPRO(TM) and General Purpose Elastomers

    Science.gov (United States)

    Zhang, Y.; Rafailovich, M.; Sokolov, Jon; Qu, S.; Ge, S.; Ngyuen, D.; Li, Z.; Peiffer, D.; Song, L.; Dias, J. A.; McElrath, K. O.

    1998-03-01

    EXXPRO(Trademark) elastomers are used for tires and many other applications. This elastomer (denoted as BIMS) is a random copolymer of p-methylstyrene (MS) and polyisobutylene (I) with varying degrees of PMS content and bromination (B) on the p-methyl group. BIMS is impermeable to gases, and has good heat, ozone and flex resistance. Very often general purpose elastomers are blended with BIMS. The interfacial width between polybutadiene and BIMS is a sensitive function of the Br level and PMS content. By neutron reflectivity (NR), we studied the dynamics of interface formation as a function of time and temperature for BIMS with varying degrees of PMS and Br. We found that in addition to the bulk parameters, the total film thickness and the proximity of an interactive surface can affect the interfacial interaction rates. The interfacial properties can also be modified by inclusion of particles, such as carbon black (a filler component in tire rubbers). Results will be presented on the relation between the interfacial width as measured by NR and compatibilization studies via AFM and LFM.

  10. Charge-extraction strategies for colloidal quantum dot photovoltaics

    KAUST Repository

    Lan, Xinzheng

    2014-02-20

    The solar-power conversion efficiencies of colloidal quantum dot solar cells have advanced from sub-1% reported in 2005 to a record value of 8.5% in 2013. Much focus has deservedly been placed on densifying, passivating and crosslinking the colloidal quantum dot solid. Here we review progress in improving charge extraction, achieved by engineering the composition and structure of the electrode materials that contact the colloidal quantum dot film. New classes of structured electrodes have been developed and integrated to form bulk heterojunction devices that enhance photocharge extraction. Control over band offsets, doping and interfacial trap state densities have been essential for achieving improved electrical communication with colloidal quantum dot solids. Quantum junction devices that not only tune the optical absorption spectrum, but also provide inherently matched bands across the interface between p-and n-materials, have proven that charge separation can occur efficiently across an all-quantum-tuned rectifying junction. © 2014 Macmillan Publishers Limited.

  11. Manipulation and control of the interfacial polarization in organic light-emitting diodes by dipolar doping

    Directory of Open Access Journals (Sweden)

    Lars Jäger

    2016-09-01

    Full Text Available Most of the commonly used electron transporting materials in organic light-emitting diodes exhibit interfacial polarization resulting from partially aligned permanent dipole moments of the molecules. This property modifies the internal electric field distribution of the device and therefore enables an earlier flat band condition for the hole transporting side, leading to improved charge carrier injection. Recently, this phenomenon was studied with regard to different materials and degradation effects, however, so far the influence of dilution has not been investigated. In this paper we focus on dipolar doping of the hole transporting material 4,4-bis[N-(1-naphthyl-N-phenylamino]-biphenyl (NPB with the polar electron transporting material tris-(8-hydroxyquinolate aluminum (Alq3. Impedance spectroscopy reveals that changes of the hole injection voltage do not scale in a simple linear fashion with the effective thickness of the doped layer. In fact, the measured interfacial polarization reaches a maximum value for a 1:1 blend. Taking the permanent dipole moment of Alq3 into account, an increasing degree of dipole alignment is found for decreasing Alq3 concentration. This observation can be explained by the competition between dipole-dipole interactions leading to dimerization and the driving force for vertical orientation of Alq3 dipoles at the surface of the NPB layer.

  12. Manipulation and control of the interfacial polarization in organic light-emitting diodes by dipolar doping

    Science.gov (United States)

    Jäger, Lars; Schmidt, Tobias D.; Brütting, Wolfgang

    2016-09-01

    Most of the commonly used electron transporting materials in organic light-emitting diodes exhibit interfacial polarization resulting from partially aligned permanent dipole moments of the molecules. This property modifies the internal electric field distribution of the device and therefore enables an earlier flat band condition for the hole transporting side, leading to improved charge carrier injection. Recently, this phenomenon was studied with regard to different materials and degradation effects, however, so far the influence of dilution has not been investigated. In this paper we focus on dipolar doping of the hole transporting material 4,4-bis[N-(1-naphthyl)-N-phenylamino]-biphenyl (NPB) with the polar electron transporting material tris-(8-hydroxyquinolate) aluminum (Alq3). Impedance spectroscopy reveals that changes of the hole injection voltage do not scale in a simple linear fashion with the effective thickness of the doped layer. In fact, the measured interfacial polarization reaches a maximum value for a 1:1 blend. Taking the permanent dipole moment of Alq3 into account, an increasing degree of dipole alignment is found for decreasing Alq3 concentration. This observation can be explained by the competition between dipole-dipole interactions leading to dimerization and the driving force for vertical orientation of Alq3 dipoles at the surface of the NPB layer.

  13. Role of organic interfacial modifiers in inverted polymers solar cells: An in-depth analysis of perylene vs fullerene organic modifiers

    Science.gov (United States)

    Kumar, S.; Panigrahi, D.; Dhar, A.

    2018-03-01

    Interfacial issues can significantly restrict the performance of photovoltaic devices by exacerbating the charge recombination channels, macroscopic phase separation, and providing a non-ideal contact for selective extraction of charges particularly in photovoltaic devices using organic and inorganic materials together. Organic interfacial modifiers (IMs) are often used to mitigate these issues by modifying the organic-inorganic interface. In order to extricate the role of these IMs on the photovoltaic performance we have made a comprehensive study on the application of perylene-based and fullerene small molecules having different molecular origin as organic IMs on ZnO electron extracting layers in inverted BHJs photovoltaic devices. We report an elaborate study on the electronic and surface altering properties of these IMs and correlated their effect on the different PV performance parameters of the inverted BHJ solar cells employing P3HT: PCBM photoactive layer. Our investigations demonstrate the role of these organic IMs in reducing the ZnO cathode work function and increasing its electron transportation property along with the passivation of superficial traps states present on ZnO which helps in selective extraction of charge carriers from the devices and minimize the recombination losses. These different aspects of IMs compete and their balanced effect decides the final outcome. As a result, we obtain a substantial improvement in the device performance with power conversion efficiency (PCE) of 3.0% for the C70/ZnO cathode device which shows over 60% improvement in contrast to the devices without any ZnO surface modification. The present investigation intents to exhibit the feasibility of vacuum sublimated organic small molecules in performance improvement in BHJ solar cells utilizing the ZnO ETLs and contrast their efficacy for the purpose rather than setting any benchmark device performance although the efficiencies obtained are typical for the active layer

  14. DNA Nanotechnology-Enabled Interfacial Engineering for Biosensor Development.

    Science.gov (United States)

    Ye, Dekai; Zuo, Xiaolei; Fan, Chunhai

    2018-06-12

    Biosensors represent biomimetic analytical tools for addressing increasing needs in medical diagnosis, environmental monitoring, security, and biodefense. Nevertheless, widespread real-world applications of biosensors remain challenging due to limitations of performance, including sensitivity, specificity, speed, and reproducibility. In this review, we present a DNA nanotechnology-enabled interfacial engineering approach for improving the performance of biosensors. We first introduce the main challenges of the biosensing interfaces, especially under the context of controlling the DNA interfacial assembly. We then summarize recent progress in DNA nanotechnology and efforts to harness DNA nanostructures to engineer various biological interfaces, with a particular focus on the use of framework nucleic acids. We also discuss the implementation of biosensors to detect physiologically relevant nucleic acids, proteins, small molecules, ions, and other biomarkers. This review highlights promising applications of DNA nanotechnology in interfacial engineering for biosensors and related areas.

  15. Charge-coupled-device X-ray detector performance model

    Science.gov (United States)

    Bautz, M. W.; Berman, G. E.; Doty, J. P.; Ricker, G. R.

    1987-01-01

    A model that predicts the performance characteristics of CCD detectors being developed for use in X-ray imaging is presented. The model accounts for the interactions of both X-rays and charged particles with the CCD and simulates the transport and loss of charge in the detector. Predicted performance parameters include detective and net quantum efficiencies, split-event probability, and a parameter characterizing the effective thickness presented by the detector to cosmic-ray protons. The predicted performance of two CCDs of different epitaxial layer thicknesses is compared. The model predicts that in each device incomplete recovery of the charge liberated by a photon of energy between 0.1 and 10 keV is very likely to be accompanied by charge splitting between adjacent pixels. The implications of the model predictions for CCD data processing algorithms are briefly discussed.

  16. Three-Dimensional Visualization of Interfacial Phenomena Using Confocal Microscopy

    Science.gov (United States)

    Shieh, Ian C.

    Surfactants play an integral role in numerous functions ranging from stabilizing the emulsion in a favorite salad dressing to organizing the cellular components that make life possible. We are interested in lung surfactant, which is a mixture of lipids and proteins essential for normal respiration because it modulates the surface tension of the air-liquid interface of the thin fluid lining in the lungs. Through this surface tension modulation, lung surfactant ensures effortless lung expansion and prevents lung collapse during exhalation, thereby effecting proper oxygenation of the bloodstream. The function of lung surfactant, as well as numerous interfacial lipid systems, is not solely dictated by the behavior of materials confined to the two-dimensional interface. Rather, the distributions of materials in the liquid subphase also greatly influence the performance of interfacial films of lung surfactant. Therefore, to better understand the behavior of lung surfactant and other interfacial lipid systems, we require a three-dimensional characterization technique. In this dissertation, we have developed a novel confocal microscopy methodology for investigating the interfacial phenomena of surfactants at the air-liquid interface of a Langmuir trough. Confocal microscopy provides the excellent combination of in situ, fast, three-dimensional visualization of multiple components of the lung surfactant system that other characterization techniques lack. We detail the solutions to the numerous challenges encountered when imaging a dynamic air-liquid interface with a high-resolution technique like confocal microscopy. We then use confocal microscopy to elucidate the distinct mechanisms by which a polyelectrolyte (chitosan) and nonadsorbing polymer (polyethylene glycol) restore the function of lung surfactant under inhibitory conditions mimicking the effects of lung trauma. Beyond this physiological model, we also investigate several one- and two-component interfacial films

  17. An arbitrary Lagrangian-Eulerian method for interfacial flows with insoluble surfactants

    Science.gov (United States)

    Yang, Xiaofeng

    Interfacial flows, fluid flows involving two or more fluids that do not mix, are common in many natural and industrial processes such as rain drop formation, crude oil recovery, polymer blending, fuel spray formation, and so on. Surfactants (surface active substances) play an important role in such processes because they significantly change the interfacial dynamics. In this thesis, an arbitrary Lagrangian-Eulerian (ALE) method has been developed to numerically simulate interfacial flows with insoluble surfactants. The interface is captured using a coupled level set and volume of fluid method. To evolve the surfactant concentration, the method directly tracks the surfactant mass and the interfacial area. The surfactant concentration, which determines the local surface tension through an equation of state, is then computed as surfactant mass per interfacial area. By directly tracking the surfactant mass, the method conserves the surfactant mass exactly. To accurately approximate the interfacial area, the fluid interface is reconstructed using piecewise parabolas. The evolution of the level set function, volume fraction, interfacial area, and the surfactant mass is performed using an ALE approach. The fluid flow is governed by Stokes equations, which are solved using a finite element method. The surface forces are included in the momentum equation using a continuum surface stress formulation. To efficiently resolve the complex interfacial dynamics, interfacial regions of high surface curvature, and near contact regions between two interacting interfaces, the grid near the interface is adaptively refined. The method is extendible to axisymmetric and 3D spaces, and can be coupled with other flow solvers, such as Navier-Stokes and viscoelastic flow solvers, as well. The method has been applied to study the effect of surfactants on drop deformation and breakup in an extensional flow. Drop deformation results are compared with available experimental and theoretical

  18. Channel mobility degradation and charge trapping in high-k/metal gate NMOSFETs

    International Nuclear Information System (INIS)

    Mathew, Shajan; Bera, L.K.; Balasubramanian, N.; Joo, M.S.; Cho, B.J.

    2004-01-01

    NMOSFETs with Metalo-Organic Chemical Vapor Deposited (MOCVD) HfAlO gate dielectric and TiN metal gate have been fabricated. Channel electron mobility was measured using the split-CV method and compared with SiO 2 devices. All high-k devices showed lower mobility compared with SiO 2 reference devices. High-k MOSFETs exhibited significant charge trapping and threshold instability. Threshold voltage recovery with time was studied on devices with oxide/nitride interfacial layer between high-k film and silicon substrate

  19. Charge Segregation and Low Hydrophobicity Are Key Features of Ribosomal Proteins from Different Organisms*

    Science.gov (United States)

    Fedyukina, Daria V.; Jennaro, Theodore S.; Cavagnero, Silvia

    2014-01-01

    Ribosomes are large and highly charged macromolecular complexes consisting of RNA and proteins. Here, we address the electrostatic and nonpolar properties of ribosomal proteins that are important for ribosome assembly and interaction with other cellular components and may influence protein folding on the ribosome. We examined 50 S ribosomal subunits from 10 species and found a clear distinction between the net charge of ribosomal proteins from halophilic and non-halophilic organisms. We found that ∼67% ribosomal proteins from halophiles are negatively charged, whereas only up to ∼15% of ribosomal proteins from non-halophiles share this property. Conversely, hydrophobicity tends to be lower for ribosomal proteins from halophiles than for the corresponding proteins from non-halophiles. Importantly, the surface electrostatic potential of ribosomal proteins from all organisms, especially halophiles, has distinct positive and negative regions across all the examined species. Positively and negatively charged residues of ribosomal proteins tend to be clustered in buried and solvent-exposed regions, respectively. Hence, the majority of ribosomal proteins is characterized by a significant degree of intramolecular charge segregation, regardless of the organism of origin. This key property enables the ribosome to accommodate proteins within its complex scaffold regardless of their overall net charge. PMID:24398678

  20. Au Nanoparticles as Interfacial Layer for CdS Quantum Dot-sensitized Solar Cells

    Directory of Open Access Journals (Sweden)

    Zhu Guang

    2010-01-01

    Full Text Available Abstract Quantum dot-sensitized solar cells based on fluorine-doped tin oxide (FTO/Au/TiO2/CdS photoanode and polysulfide electrolyte are fabricated. Au nanoparticles (NPs as interfacial layer between FTO and TiO2 layer are dip-coated on FTO surface. The structure, morphology and impedance of the photoanodes and the photovoltaic performance of the cells are investigated. A power conversion efficiency of 1.62% has been obtained for FTO/Au/TiO2/CdS cell, which is about 88% higher than that for FTO/TiO2/CdS cell (0.86%. The easier transport of excited electron and the suppression of charge recombination in the photoanode due to the introduction of Au NP layer should be responsible for the performance enhancement of the cell.

  1. A numerical study on charging mechanism in leaky dielectric liquids inside the electrostatic atomizers

    Science.gov (United States)

    Kashir, Babak; Perri, Anthony; Yarin, Alexander L.; Mashayek, Farzad

    2017-11-01

    The charging of leaky dielectric liquids inside an electrostatic atomizer is studied numerically by developed codes based on OpenFOAM platform. Faradaic reactions are taken into account as the electrification mechanism. The impact of ionic finite size (steric terms) in high voltages is also investigated. The fundamental electrohydrodynamic understanding of the charging mechanism is aimed in the present work where the creation of polarized near-electrode layer and the movement of charges due to hydrodynamic flow are studied in conjunction with the solution of the Navier-Stokes equations. The case of a micro channel electrohydrodynamic flow subjected to two electrodes of the opposite polarity is considered as an example, with the goal to predict the resulting net charge at the exit. Even though the electrodes constitute a small portion of the channel wall, otherwise insulated, it is indicated that the channel length plays a dominant role in the discharging net charge. The ionic fluxes at the electrode surfaces are accounted through the Frumkin-Butler-Volmer relation found from the concurrent in-house experimental investigations. This projects was supported by National science Foundation (NSF) GOALI Grant CBET-1505276.

  2. Ion-size dependent electroosmosis of viscoelastic fluids in microfluidic channels with interfacial slip

    Science.gov (United States)

    Mukherjee, Siddhartha; Goswami, Prakash; Dhar, Jayabrata; Dasgupta, Sunando; Chakraborty, Suman

    2017-07-01

    We report a study on the ion-size dependent electroosmosis of viscoelastic fluids in microfluidic channels with interfacial slip. Here, we derive an analytical solution for the potential distribution in a parallel plate microchannel, where the effects of finite sized ionic species are taken into account by invoking the free energy formalism. Following this, a purely electroosmotic flow of a simplified Phan-Thien-Tanner (sPTT) fluid is considered. For the sPTT model, linear, quadratic, and exponential kernels are chosen for the stress coefficient function describing its viscoelastic nature across various ranges of Deborah number. The theoretical framework presented in our analysis has been successfully compared with experimental results available in the literature. We believe that the implications of the considered effects on the net volumetric throughput will not only provide a deeper theoretical insight to interpret the electrokinetic data in the presence of ionic species but also serve as a fundamental design tool for novel electrokinetically driven lab-on-a-chip biofluidic devices.

  3. Interfacial behaviour of biopolymer multilayers

    NARCIS (Netherlands)

    Corstens, Meinou N.; Osorio Caltenco, Lilia A.; Vries, de Renko; Schroën, Karin; Berton-Carabin, Claire C.

    2017-01-01

    Although multilayered emulsions have been related to reduced lipolysis, the involved interfacial phenomena have never been studied directly. In this work, we systematically built multilayers of whey protein and pectin, which we further subjected to digestive conditions, using two different

  4. The EUVAC-NET project: creation and operation of a surveillance community network for vaccine preventable infectious diseases.

    Science.gov (United States)

    Glismann, S; Rønne, T; Tozzi, A

    2001-06-01

    The EUVAC-NET network is in charge of the epidemiological surveillance and control of vaccine preventable diseases. It is coordinated by the SSI in Denmark, in collaboration with the ISS in Italy. The two main diseases targeted by the network are measles and pertussis. A collaboration is planned with the PHLS for the monitoring of Haemophilus influenzae b. EUVAC-NET includes the Member States of the European Union, and Iceland, Norway and Switzerland.

  5. Intermetallic Growth and Interfacial Properties of the Grain Refiners in Al Alloys

    Science.gov (United States)

    Li, Chunmei; Cheng, Nanpu; Chen, Zhiqian; Xie, Zhongjing; Hui, Liangliang

    2018-01-01

    Al3TM(TM = Ti, Zr, Hf, Sc) particles acting as effective grain refiners for Al alloys have been receiving extensive attention these days. In order to judge their nucleation behaviors, first-principles calculations are used to investigate their intermetallic and interfacial properties. Based on energy analysis, Al3Zr and Al3Sc are more suitable for use as grain refiners than the other two intermetallic compounds. Interfacial properties show that Al/Al3TM(TM = Ti, Zr, Hf, Sc) interfaces in I-ter interfacial mode exhibit better interface wetting effects due to larger Griffith rupture work and a smaller interface energy. Among these, Al/Al3Sc achieves the lowest interfacial energy, which shows that Sc atoms should get priority for occupying interfacial sites. Additionally, Sc-doped Al/Al3(Zr, Sc) interfacial properties show that Sc can effectively improve the Al/Al3(Zr, Sc) binding strength with the Al matrix. By combining the characteristics of interfaces with the properties of intermetallics, the core-shell structure with Al3Zr-core or Al3Zr(Sc1-1)-core encircled with an Sc-rich shell forms. PMID:29677155

  6. Bane of Hydrogen-Bond Formation on the Photoinduced Charge-Transfer Process in Donor–Acceptor Systems

    KAUST Repository

    Alsam, Amani Abdu

    2017-03-14

    Controlling the ultrafast dynamical process of photoinduced charge transfer at donor acceptor interfaces remains a major challenge for physical chemistry and solar cell communities. The process is complicated by the involvement of other complex dynamical processes, including hydrogen bond formation, energy transfer, and solvation dynamics occurring on similar time scales. In this study, we explore the remarkable impact of hydrogen-bond formation on the interfacial charge transfer between a negatively charged electron donating anionic porphyrin and a positively charged electron accepting pi-conjugated polymer, as a model system in solvents with different polarities and capabilities for hydiogen bonding using femtosecond transient absorption spectroscopy. Unlike the conventional understanding of the key role of hydrogen bonding in promoting the charge-transfer process, our steadystate and time-resolved results reveal that the intervening hydrogen-bonding environment and, consequently, the probable longer spacing between the donor and acceptor molecules significantly hinders the charge-transfer process between them. These results show that site-specific hydrogen bonding and geometric considerations between donor and acceptor can be exploited to control both the charge-transfer dynamics and its efficiency not only at donor acceptor interfaces but also in complex biological systems.

  7. Solid/liquid interfacial free energies in binary systems

    Science.gov (United States)

    Nason, D.; Tiller, W. A.

    1973-01-01

    Description of a semiquantitative technique for predicting the segregation characteristics of smooth interfaces between binary solid and liquid solutions in terms of readily available thermodynamic parameters of the bulk solutions. A lattice-liquid interfacial model and a pair-bonded regular solution model are employed in the treatment with an accommodation for liquid interfacial entropy. The method is used to calculate the interfacial segregation and the free energy of segregation for solid-liquid interfaces between binary solutions for the (111) boundary of fcc crystals. The zone of compositional transition across the interface is shown to be on the order of a few atomic layers in width, being moderately narrower for ideal solutions. The free energy of the segregated interface depends primarily upon the solid composition and the heats of fusion of the component atoms, the composition difference of the solutions, and the difference of the heats of mixing of the solutions.

  8. Interfacial characteristics of hybrid nanocomposite under thermomechanical loading

    Science.gov (United States)

    Choyal, Vijay; Kundalwal, Shailesh I.

    2017-12-01

    In this work, an improved shear lag model was developed to investigate the interfacial characteristics of three-phase hybrid nanocomposite which is reinforced with microscale fibers augmented with carbon nanotubes on their circumferential surfaces. The shear lag model accounts for (i) radial and axial deformations of different transversely isotropic constituents, (ii) thermomechanical loads on the representative volume element (RVE), and (iii) staggering effect of adjacent RVEs. The results from the current newly developed shear lag model are validated with the finite element simulations and found to be in good agreement. This study reveals that the reduction in the maximum value of the axial stress in the fiber and the interfacial shear stress along its length become more pronounced in the presence of applied thermomechanical loads on the staggered RVEs. The existence of shear tractions along the RVE length plays a significant role in the interfacial characteristics and cannot be ignored.

  9. Wavelength dependence of liquid-vapor interfacial tension of Ga

    International Nuclear Information System (INIS)

    Li Dongxu; Yang Bin; Rice, Stuart A.; Lin Binhua; Meron, Mati; Gebhardt, Jeff; Graber, Tim

    2004-01-01

    The wave-vector dependence of the liquid-vapor interfacial tension of Ga, γ(q), has been determined from diffuse x-ray scattering measurements. The ratio γ(q)/γ(0)=1 for q -1 decreases to 0.5 near q=0.22 Angstrom -1 , and increases strongly for larger q. The observed form for γ(q)/γ(0) is consistent with the prediction from the Mecke-Dietrich theory when the known stratified liquid-vapor interfacial density profile of Ga and a pseudopotential based pair interaction with appropriate asymptotic (r→∞) behavior are used. The detailed behavior of γ(q)/γ(0) depends on the particular forms of both the interfacial density profile and the asymptotic falloff of the atomic pair interaction

  10. An Inverse Michaelis–Menten Approach for Interfacial Enzyme Kinetics

    DEFF Research Database (Denmark)

    Kari, Jeppe; Andersen, Morten; Borch, Kim

    2017-01-01

    Interfacial enzyme reactions are ubiquitous both in vivo and in technical applications, but analysis of their kinetics remains controversial. In particular, it is unclear whether conventional Michaelis–Menten theory, which requires a large excess of substrate, can be applied. Here, an extensive...... experimental study of the enzymatic hydrolysis of insoluble cellulose indeed showed that the conventional approach had a limited applicability. Instead we argue that, unlike bulk reactions, interfacial enzyme catalysis may reach a steady-state condition in the opposite experimental limit, where...... for kinetic analyses of interfacial enzyme reactions and that its analogy to established theory provides a bridge to the accumulated understanding of steady-state enzyme kinetics. Finally, we show that the ratio of parameters from conventional and inverted Michaelis–Menten analysis reveals the density...

  11. Interfacial characterization of CVI-SiC/SiC composites

    International Nuclear Information System (INIS)

    Yang, W.; Kohyama, A.; Noda, T.; Katoh, Y.; Hinoki, T.; Araki, H.; Yu, J.

    2002-01-01

    The mechanical properties of the interfaces of two families of chemical vapor infiltration SiC/SiC composites, advanced Tyranno-SA and Hi-Nicalon fibers reinforced SiC/SiC composites with various carbon and SiC/C interlayers, were investigated by single fiber push-out/push-back tests. Interfacial debonding and fibers sliding mainly occurred adjacent to the first carbon layer on the fibers. The interfacial debonding strengths and frictional stresses for both Tyranno-SA/SiC and Hi-Nicalon/SiC composites were correlated with the first carbon layer thickness. Tyranno-SA/SiC composites exhibited much larger interfacial frictional stresses compared to Hi-Nicalon/SiC composites. This was assumed to be mainly contributed by the rather rough surface of the Tyranno-SA fiber

  12. Morphological Instability in InAs/GaSb Superlattices due to Interfacial Bonds

    International Nuclear Information System (INIS)

    Li, J.H.; Moss, S.C.; Stokes, D.W.; Caha, O.; Bassler, K.E.; Ammu, S.L.; Bai, J.

    2005-01-01

    Synchrotron x-ray diffraction is used to compare the misfit strain and composition in a self-organized nanowire array in an InAs/GaSb superlattice with InSb interfacial bonds to a planar InAs/GaSb superlattice with GaAs interfacial bonds. It is found that the morphological instability that occurs in the nanowire array results from the large misfit strain that the InSb interfacial bonds have in the nanowire array. Based on this result, we propose that tailoring the type of interfacial bonds during the epitaxial growth of III-V semiconductor films provides a novel approach for producing the technologically important morphological instability in anomalously thin layers

  13. PUBLIC ACCEPTANCE OF ROAD-USER CHARGING

    Directory of Open Access Journals (Sweden)

    Neil THORPE

    2002-01-01

    Full Text Available This paper focuses upon public attitudes to and public acceptance of road-user charging as an effective means of managing travel demand, with the overall aim of identifying the characteristics of key interest groups, the kinds of attitudes they hold and their preferences for the distribution of the benefits of generated net revenues and released roadspace. It is argued that this knowledge can play a pivotal role in the design of road-user charging systems that satisfy two important criteria – namely, that they are capable of achieving their stated objectives and are generally acceptable to the public. A case-study of three toll-rings used for revenue generation by the Norwegian cities of Bergen, Oslo and Trondheim is selected, where a team of Norwegian interviewers administered a computer-based survey to a total of 756 respondents. Results of the analyses of the attitudinal data collected raise concerns about the approach of introducing initially low levels of road-use charge, designed to have negligible impacts on travel behaviour but to raise revenues to fund necessary improvements to public transport, both to familiarise private car-users with the principles of a pay-as-you-go system of charging and hopefully to reduce levels of public opposition prior to the introduction of the longer term objective of higher charges for traffic restraint. The timescale over which charges are increased may be crucial in terms of balancing a resistance to change in the longer term against the credibility of a system whose objectives are modified in the relatively short-term. The key conclusion from the first Stated Preference exercise is that there is a high degree of consensus among individuals on the importance of investing significant amounts of net revenues in new road infrastructure as well as improved public transport. The second Stated Preference exercise highlights respondents' concerns that the benefits in improved network performance achieved by a

  14. Charged particle production in proton-, deuteron-, oxygen- and sulphur-nucleus collisions at 200 GeV per nucleon

    CERN Document Server

    Alber, T.; Bachler, J.; Bartke, J.; Bialkowska, H.; Bloomer, M.A.; Bock, R.; Braithwaite, W.J.; Brinkmann, D.; Brockmann, R.; Buncic, P.; Chan, P.; Cramer, J.G.; Cramer, P.B.; Derado, I.; Eckardt, V.; Eschke, J.; Favuzzi, C.; Ferenc, D.; Fleischmann, B.; Foka, P.; Freund, P.; Fuchs, M.; Gazdzicki, M.; Gladysz, E.; Grebieszkow, J.; Gunther, J.; Harris, J.W.; Hoffmann, M.; Jacobs, P.; Kabana, S.; Kadija, K.; Keidel, R.; Kowalski, M.; Kuhmichel, A.; Lee, J.Y.; Ljubicic, A, Jr.; Margetis, S.; Mitchell, J.T.; Morse, R.; Nappi, E.; Odyniec, G.; Paic, G.; Panagiotou, A.D.; Petridis, A.; Piper, A.; Posa, F.; Poskanzer, Arthur M.; Puhlhofer, F.; Rauch, W.; Renfordt, R.; Retyk, W.; Rohrich, D.; Roland, G.; Rothard, H.; Runge, K.; Sandoval, A.; Schmitz, N.; Schmoetten, E.; Sendelbach, R.; Seyboth, P.; Seyerlein, J.; Skrzypczak, E.; Spinelli, P.; Stock, R.; Strobele, H.; Teitelbaum, L.; Tonse, S.; Trainor, T.A.; Vasileiadis, G.; Vassiliou, M.; Vesztergombi, G.; Vranic, D.; Wenig, S.; Wosiek, B.; Zhu, X.

    1998-01-01

    The transverse momentum and rapidity distributions of net protons and negatively charged hadrons have been measured for minimum bias proton-nucleus and deuteron-gold interactions, as well as central oxygen-gold and sulphur-nucleus collisions at 200 GeV per nucleon. The rapidity density of net protons at midrapidity in central nucleus-nucleus collisions increases both with target mass for sulphur projectiles and with the projectile mass for a gold target. The shape of the rapidity distributions of net protons forward of midrapidity for d+Au and central S+Au collisions is similar. The average rapidity loss is larger than 2 units of rapidity for reactions with the gold target. The transverse momentum spectra of net protons for all reactions can be described by a thermal distribution with `temperatures' between 145 +- 11 MeV (p+S interactions) and 244 +- 43 MeV (central S+Au collisions). The multiplicity of negatively charged hadrons increases with the mass of the colliding system. The shape of the transverse mom...

  15. Petri Nets

    Indian Academy of Sciences (India)

    In a computer system, for example, typical discrete events ... This project brought out a series of influential reports on Petri net theory in the mid and late ... Technology became a leading centre for Petri net research and from then on, Petri nets ...

  16. Ultrasonic Guided Waves in Piezoelectric Layered Composite with Different Interfacial Properties

    Directory of Open Access Journals (Sweden)

    Xiao Chen

    2011-01-01

    Full Text Available Combining the propagation model of guided waves in a multilayered piezoelectric composite with the interfacial model of rigid, slip, and weak interfaces, the generalized dispersion characteristic equations of guided waves propagating in a piezoelectric layered composite with different interfacial properties are derived. The effects of the slip, weak, and delamination interfaces in different depths on the dispersion properties of the lowest-order mode ultrasonic guided wave are analyzed. The theory would be used to characterize the interfacial properties of piezoelectric layered composite nondestructively.

  17. Mesoscale Interfacial Dynamics in Magnetoelectric Nanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Shashank, Priya [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States)

    2009-12-14

    Biphasic composites are the key towards achieving enhanced magnetoelectric response. In order understand the control behavior of the composites and resultant symmetry of the multifunctional product tensors, we need to synthesized model material systems with the following features (i) interface formation through either deposition control or natural decomposition; (ii) a very high interphase-interfacial area, to maximize the ME coupling; and (iii) an equilibrium phase distribution and morphology, resulting in preferred crystallographic orientation relations between phases across the interphase-interfacial boundaries. This thought process guided the experimental evolution in this program. We initiated the research with the co-fired composites approach and then moved on to the thin film laminates deposited through the rf-magnetron sputtering and pulsed laser deposition process

  18. Direct observation of interfacial Au atoms on TiO₂ in three dimensions.

    Science.gov (United States)

    Gao, Wenpei; Sivaramakrishnan, Shankar; Wen, Jianguo; Zuo, Jian-Min

    2015-04-08

    Interfacial atoms, which result from interactions between the metal nanoparticles and support, have a large impact on the physical and chemical properties of nanoparticles. However, they are difficult to observe; the lack of knowledge has been a major obstacle toward unraveling their role in chemical transformations. Here we report conclusive evidence of interfacial Au atoms formed on the rutile (TiO2) (110) surfaces by activation using high-temperature (∼500 °C) annealing in air. Three-dimensional imaging was performed using depth-sectioning enabled by aberration-corrected scanning transmission electron microscopy. Results show that the interface between Au nanocrystals and TiO2 (110) surfaces consists of a single atomic layer with Au atoms embedded inside Ti-O. The number of interfacial Au atoms is estimated from ∼1-8 in an interfacial atomic column. Direct impact of interfacial Au atoms is observed on an enhanced Au-TiO2 interaction and the reduction of surface TiO2; both are critical to Au catalysis.

  19. Research on the interfacial behaviors of plate-type dispersion nuclear fuel elements

    Energy Technology Data Exchange (ETDEWEB)

    Wang Qiming; Yan Xiaoqing [Department of Mechanics and Engineering Science, Fudan University, Shanghai 200433 (China); Ding Shurong, E-mail: dsr1971@163.co [Department of Mechanics and Engineering Science, Fudan University, Shanghai 200433 (China); Huo Yongzhong [Department of Mechanics and Engineering Science, Fudan University, Shanghai 200433 (China)

    2010-04-01

    The three-dimensional constitutive relations are constructed, respectively, for the fuel particles, the metal matrix and the cladding of dispersion nuclear fuel elements, allowing for the effects of large deformation and thermal-elastoplasticity. According to the constitutive relations, the method of modeling their irradiation behaviors in ABAQUS is developed and validated. Numerical simulations of the interfacial performances between the fuel meat and the cladding are implemented with the developed finite element models for different micro-structures of the fuel meat. The research results indicate that: (1) the interfacial tensile stresses and shear stresses for some cases will increase with burnup, but the relative stresses will decrease with burnup for some micro-structures; (2) at the lower burnups, the interfacial stresses increase with the particle sizes and the particle volume fractions; however, it is not the case at the higher burnups; (3) the particle distribution characteristics distinctly affect the interfacial stresses, and the face-centered cubic case has the best interfacial performance of the three considered cases.

  20. Charged-to-neutral correlation at forward rapidity in Au + Au collisions at √{sNN}=200 GeV

    Science.gov (United States)

    Adamczyk, L.; Adkins, J. K.; Agakishiev, G.; Aggarwal, M. M.; Ahammed, Z.; Alekseev, I.; Alford, J.; Anson, C. D.; Aparin, A.; Arkhipkin, D.; Aschenauer, E. C.; Averichev, G. S.; Banerjee, A.; Beavis, D. R.; Bellwied, R.; Bhasin, A.; Bhati, A. K.; Bhattarai, P.; Bichsel, H.; Bielcik, J.; Bielcikova, J.; Bland, L. C.; Bordyuzhin, I. G.; Borowski, W.; Bouchet, J.; Brandin, A. V.; Brovko, S. G.; Bültmann, S.; Bunzarov, I.; Burton, T. P.; Butterworth, J.; Caines, H.; Calderón de la Barca Sánchez, M.; Campbell, J. M.; Cebra, D.; Cendejas, R.; Cervantes, M. C.; Chaloupka, P.; Chang, Z.; Chattopadhyay, S.; Chen, H. F.; Chen, J. H.; Chen, L.; Cheng, J.; Cherney, M.; Chikanian, A.; Christie, W.; Chwastowski, J.; Codrington, M. J. M.; Contin, G.; Cramer, J. G.; Crawford, H. J.; Cui, X.; Das, S.; Davila Leyva, A.; De Silva, L. C.; Debbe, R. R.; Dedovich, T. G.; Deng, J.; Derevschikov, A. A.; Derradi de Souza, R.; di Ruzza, B.; Didenko, L.; Dilks, C.; Ding, F.; Djawotho, P.; Dong, X.; Drachenberg, J. L.; Draper, J. E.; Du, C. M.; Dunkelberger, L. E.; Dunlop, J. C.; Efimov, L. G.; Engelage, J.; Engle, K. S.; Eppley, G.; Eun, L.; Evdokimov, O.; Eyser, O.; Fatemi, R.; Fazio, S.; Fedorisin, J.; Filip, P.; Fisyak, Y.; Flores, C. E.; Gagliardi, C. A.; Gangadharan, D. R.; Garand, D.; Geurts, F.; Gibson, A.; Girard, M.; Gliske, S.; Greiner, L.; Grosnick, D.; Gunarathne, D. S.; Guo, Y.; Gupta, A.; Gupta, S.; Guryn, W.; Haag, B.; Hamed, A.; Han, L.-X.; Haque, R.; Harris, J. W.; Heppelmann, S.; Hirsch, A.; Hoffmann, G. W.; Hofman, D. J.; Horvat, S.; Huang, B.; Huang, H. Z.; Huang, X.; Huck, P.; Humanic, T. J.; Igo, G.; Jacobs, W. W.; Jang, H.; Judd, E. G.; Kabana, S.; Kalinkin, D.; Kang, K.; Kauder, K.; Ke, H. W.; Keane, D.; Kechechyan, A.; Kesich, A.; Khan, Z. H.; Kikola, D. P.; Kisel, I.; Kisiel, A.; Koetke, D. D.; Kollegger, T.; Konzer, J.; Koralt, I.; Kosarzewski, L. K.; Kotchenda, L.; Kraishan, A. F.; Kravtsov, P.; Krueger, K.; Kulakov, I.; Kumar, L.; Kycia, R. A.; Lamont, M. A. C.; Landgraf, J. M.; Landry, K. D.; Lauret, J.; Lebedev, A.; Lednicky, R.; Lee, J. H.; Li, C.; Li, W.; Li, X.; Li, X.; Li, Y.; Li, Z. M.; Lisa, M. A.; Liu, F.; Ljubicic, T.; Llope, W. J.; Lomnitz, M.; Longacre, R. S.; Luo, X.; Ma, G. L.; Ma, Y. G.; Mahapatra, D. P.; Majka, R.; Margetis, S.; Markert, C.; Masui, H.; Matis, H. S.; McDonald, D.; McShane, T. S.; Minaev, N. G.; Mioduszewski, S.; Mohanty, B.; Mondal, M. M.; Morozov, D. A.; Mustafa, M. K.; Nandi, B. K.; Nasim, Md.; Nayak, T. K.; Nelson, J. M.; Nigmatkulov, G.; Nogach, L. V.; Noh, S. Y.; Novak, J.; Nurushev, S. B.; Odyniec, G.; Ogawa, A.; Oh, K.; Ohlson, A.; Okorokov, V.; Oldag, E. W.; Olvitt, D. L.; Page, B. S.; Pan, Y. X.; Pandit, Y.; Panebratsev, Y.; Pawlak, T.; Pawlik, B.; Pei, H.; Perkins, C.; Pile, P.; Planinic, M.; Pluta, J.; Poljak, N.; Poniatowska, K.; Porter, J.; Poskanzer, A. M.; Pruthi, N. K.; Przybycien, M.; Putschke, J.; Qiu, H.; Quintero, A.; Ramachandran, S.; Raniwala, R.; Raniwala, S.; Ray, R. L.; Riley, C. K.; Ritter, H. G.; Roberts, J. B.; Rogachevskiy, O. V.; Romero, J. L.; Ross, J. F.; Roy, A.; Ruan, L.; Rusnak, J.; Rusnakova, O.; Sahoo, N. R.; Sahu, P. K.; Sakrejda, I.; Salur, S.; Sandacz, A.; Sandweiss, J.; Sangaline, E.; Sarkar, A.; Schambach, J.; Scharenberg, R. P.; Schmah, A. M.; Schmidke, W. B.; Schmitz, N.; Seger, J.; Seyboth, P.; Shah, N.; Shahaliev, E.; Shanmuganathan, P. V.; Shao, M.; Sharma, B.; Shen, W. Q.; Shi, S. S.; Shou, Q. Y.; Sichtermann, E. P.; Simko, M.; Skoby, M. J.; Smirnov, D.; Smirnov, N.; Solanki, D.; Sorensen, P.; Spinka, H. M.; Srivastava, B.; Stanislaus, T. D. S.; Stevens, J. R.; Stock, R.; Strikhanov, M.; Stringfellow, B.; Sumbera, M.; Sun, X.; Sun, X. M.; Sun, Y.; Sun, Z.; Surrow, B.; Svirida, D. N.; Symons, T. J. M.; Szelezniak, M. A.; Takahashi, J.; Tang, A. H.; Tang, Z.; Tarnowsky, T.; Thomas, J. H.; Timmins, A. R.; Tlusty, D.; Tokarev, M.; Trentalange, S.; Tribble, R. E.; Tribedy, P.; Trzeciak, B. A.; Tsai, O. D.; Turnau, J.; Ullrich, T.; Underwood, D. G.; Van Buren, G.; van Nieuwenhuizen, G.; Vandenbroucke, M.; Vanfossen, J. A.; Varma, R.; Vasconcelos, G. M. S.; Vasiliev, A. N.; Vertesi, R.; Videbæk, F.; Viyogi, Y. P.; Vokal, S.; Vossen, A.; Wada, M.; Wang, F.; Wang, G.; Wang, H.; Wang, J. S.; Wang, X. L.; Wang, Y.; Wang, Y.; Webb, G.; Webb, J. C.; Westfall, G. D.; Wieman, H.; Wissink, S. W.; Witt, R.; Wu, Y. F.; Xiao, Z.; Xie, W.; Xin, K.; Xu, H.; Xu, J.; Xu, N.; Xu, Q. H.; Xu, Y.; Xu, Z.; Yan, W.; Yang, C.; Yang, Y.; Yang, Y.; Ye, Z.; Yepes, P.; Yi, L.; Yip, K.; Yoo, I.-K.; Yu, N.; Zbroszczyk, H.; Zha, W.; Zhang, J. B.; Zhang, J. L.; Zhang, S.; Zhang, X. P.; Zhang, Y.; Zhang, Z. P.; Zhao, F.; Zhao, J.; Zhong, C.; Zhu, X.; Zhu, Y. H.; Zoulkarneeva, Y.; Zyzak, M.; STAR Collaboration

    2015-03-01

    Event-by-event fluctuations of the multiplicities of inclusive charged particles and photons at forward rapidity in Au +Au collisions at √{sNN}=200 GeV have been studied. The dominant contribution to such fluctuations is expected to come from correlated production of charged and neutral pions. We search for evidence of dynamical fluctuations of different physical origins. Observables constructed out of moments of multiplicities are used as measures of fluctuations. Mixed events and model calculations are used as base lines. Results are compared to the dynamical net-charge fluctuations measured in the same acceptance. A nonzero statistically significant signal of dynamical fluctuations is observed in excess to the model prediction when charged particles and photons are measured in the same acceptance. We find that, unlike dynamical net-charge fluctuation, charge-neutral fluctuation is not dominated by correlation owing to particle decay. Results are compared to the expectations based on the generic production mechanism of pions owing to isospin symmetry, for which no significant (<1 % ) deviation is observed.

  1. Interfacial structures of confined air-water two-phase bubbly flow

    International Nuclear Information System (INIS)

    Kim, S.; Ishii, M.; Wu, Q.; McCreary, D.; Beus, S.G.

    2000-01-01

    The interfacial structure of the two-phase flows is of great importance in view of theoretical modeling and practical applications. In the present study, the focus is made on obtaining detailed local two-phase parameters in the air-water bubbly flow in a rectangular vertical duct using the double-sensor conductivity probe. The characteristic wall-peak is observed in the profiles of the interracial area concentration and the void fraction. The development of the interfacial area concentration along the axial direction of the flow is studied in view of the interfacial area transport and bubble interactions. The experimental data is compared with the drift flux model with C 0 = 1.35

  2. Two-group modeling of interfacial area transport in large diameter channels

    Energy Technology Data Exchange (ETDEWEB)

    Schlegel, J.P., E-mail: schlegelj@mst.edu [Department of Mining and Nuclear Engineering, Missouri University of Science and Technology, 301 W 14th St., Rolla, MO 65409 (United States); Hibiki, T.; Ishii, M. [School of Nuclear Engineering, Purdue University, 400 Central Dr., West Lafayette, IN 47907 (United States)

    2015-11-15

    Highlights: • Implemented updated constitutive models and benchmarking method for IATE in large pipes. • New model and method with new data improved the overall IATE prediction for large pipes. • Not all conditions well predicted shows that further development is still required. - Abstract: A comparison of the existing two-group interfacial area transport equation source and sink terms for large diameter channels with recently collected interfacial area concentration measurements (Schlegel et al., 2012, 2014. Int. J. Heat Fluid Flow 47, 42) has indicated that the model does not perform well in predicting interfacial area transport outside of the range of flow conditions used in the original benchmarking effort. In order to reduce the error in the prediction of interfacial area concentration by the interfacial area transport equation, several constitutive relations have been updated including the turbulence model and relative velocity correlation. The transport equation utilizing these updated models has been modified by updating the inter-group transfer and Group 2 coalescence and disintegration kernels using an expanded range of experimental conditions extending to pipe sizes of 0.304 m [12 in.], gas velocities of up to nearly 11 m/s [36.1 ft/s] and liquid velocities of up to 2 m/s [6.56 ft/s], as well as conditions with both bubbly flow and cap-bubbly flow injection (Schlegel et al., 2012, 2014). The modifications to the transport equation have resulted in a decrease in the RMS error for void fraction and interfacial area concentration from 17.32% to 12.3% and 21.26% to 19.6%. The combined RMS error, for both void fraction and interfacial area concentration, is below 15% for most of the experiments used in the comparison, a distinct improvement over the previous version of the model.

  3. The molecular understanding of interfacial interactions of functionalized graphene and chitosan

    International Nuclear Information System (INIS)

    Zhang, Hong-ping; Luo, Xue-gang; Lin, Xiao-yan; Lu, Xiong; Tang, Youhong

    2016-01-01

    Graphical abstract: The type of the functional groups can be used to modulating interactions between graphene sheet and chitosan. - Highlights: • Investigate interfacial interactions between chitosan and functionalized graphene by DFT. • Observe covalent linkages between COOH-modified graphene and chitosan units. • Multi-functionalized graphene regulates the interfacial interactions with chitosan. • It is useful for guiding the preparation of graphene/chitosan composites. - Abstract: Graphene-reinforced chitosan scaffolds have been extensively studied for several years as promising hard tissue replacements. However, the interfacial interactions between graphene and chitosan are strongly related to the solubility, processability, and mechanical properties of graphene-reinforced chitosan (G–C) composites. The functionalization of graphene is regarded as the most effective way to improve the abovementioned properties of the G–C composite. In this study, the interfacial interactions between chitosan and functionalized graphene sheets with carboxylization (COOH-), amination (NH 2 -), and hydroxylation (OH-) groups were systematically studied at the electronic level using the method of ab initio simulations based on quantum mechanics theory and the observations were compared with reported experimental results. The covalent linkages between COOH-modified graphene and the chitosan units were demonstrated and the combination of multi-functionalization on graphene could regulate the interfacial interactions between graphene and the chitosan. The interfacial interactions between chitosan and properly functionalized graphene are critical for the preparation of G–C-based composites for tissue engineering scaffolds and other applications.

  4. Interfacial Healing and Transport Phenomena Modeling ff Biopolymers

    Science.gov (United States)

    Lebron, Karla

    This research focuses on the characterization of bioplastics joined using ultrasonic welding and modeling of temperature distributions and interfacial healing. Polylactic acid (PLA), which is typically derived from starch-rich crops such as corn, was studied. While the measurement of activation energy for interfacial healing at weld interfaces of PLA films has been reported, here, this information is used to predict the weld strength of rigid PLA samples welded by ultrasonics. A characterization of the mechanical properties was completed with a tensile test to determine the effects of amplitude, melt velocity and collapse distance on weld strength. From previous interfacial healing activation energy measurements based on an impulse welding method, it was also possible to predict weld strength. It was found that the most influential parameters were weld time, collapse distance and weld velocity. In general, the model predicted weld strength reasonably well with r2 values between 0.77 and 0.78.

  5. The Calibration Units of the KM3NeT neutrino telescope

    Science.gov (United States)

    Baret, B.; Keller, P.; Clark, M. Lindsey

    2016-04-01

    KM3NeT is a network of deep-sea neutrino telescopes to be deployed in the Mediterranean Sea that will perform neutrino astronomy and oscillation studies. It consists of three-dimensional arrays of thousands of optical modules that detect the Cherenkov light induced by charged particles resulting from the interaction of a neutrino with the surrounding medium. The performance of the neutrino telescope relies on the precise timing and positioning calibration of the detector elements. Other environmental conditions which may affect light and sound transmission, such as water temperature and salinity, must also be continuously monitored. This contribution describes the technical design of the first Calibration Unit, to be deployed on the French site as part of KM3NeT Phase 1.

  6. Resonance Raman spectra of organic molecules absorbed on inorganic semiconducting surfaces: Contribution from both localized intramolecular excitation and intermolecular charge transfer excitation

    International Nuclear Information System (INIS)

    Ye, ChuanXiang; Zhao, Yi; Liang, WanZhen

    2015-01-01

    The time-dependent correlation function approach for the calculations of absorption and resonance Raman spectra (RRS) of organic molecules absorbed on semiconductor surfaces [Y. Zhao and W. Z. Liang, J. Chem. Phys. 135, 044108 (2011)] is extended to include the contribution of the intermolecular charge transfer (CT) excitation from the absorbers to the semiconducting nanoparticles. The results demonstrate that the bidirectionally interfacial CT significantly modifies the spectral line shapes. Although the intermolecular CT excitation makes the absorption spectra red shift slightly, it essentially changes the relative intensities of mode-specific RRS and causes the oscillation behavior of surface enhanced Raman spectra with respect to interfacial electronic couplings. Furthermore, the constructive and destructive interferences of RRS from the localized molecular excitation and CT excitation are observed with respect to the electronic coupling and the bottom position of conductor band. The interferences are determined by both excitation pathways and bidirectionally interfacial CT

  7. Coupling of narrow and wide band-gap semiconductors on uniform films active in bacterial disinfection under low intensity visible light: implications of the interfacial charge transfer (IFCT).

    Science.gov (United States)

    Rtimi, S; Sanjines, R; Pulgarin, C; Houas, A; Lavanchy, J-C; Kiwi, J

    2013-09-15

    This study reports the design, preparation, testing and surface characterization of uniform films deposited by sputtering Ag and Ta on non-heat resistant polyester to evaluate the Escherichia coli inactivation by TaON, TaN/Ag, Ag and TaON/Ag polyester. Co-sputtering for 120 s Ta and Ag in the presence of N₂ and O₂ led to the faster E. coli inactivation by a TaON/Ag sample within ∼40 min under visible light irradiation. The deconvolution of TaON/Ag peaks obtained by X-ray photoelectron spectroscopy (XPS) allowed the assignment of the Ta₂O₅ and Ag-species. The shifts observed for the XPS peaks have been assigned to AgO to Ag₂O and Ag(0), and are a function of the applied sputtering times. The mechanism of interfacial charge transfer (IFCT) from the Ag₂O conduction band (cb) to the lower laying Ta₂O₅ (cb) is discussed suggesting a reaction mechanism. The optical absorption of the TaON and TaON/Ag samples found by diffuse reflectance spectroscopy (DRS) correlated well with the kinetics of E. coli inactivation. The TaON/Ag sample microstructure was characterized by contact angle (CA) and by atomic force microscopy (AFM). Self-cleaning of the TaON/Ag polyester after each disinfection cycle enabled repetitive E. coli inactivation. Copyright © 2013 Elsevier B.V. All rights reserved.

  8. Interfacial Studies of Sized Carbon Fiber

    International Nuclear Information System (INIS)

    Shahrul, S. N.; Hartini, M. N.; Hilmi, E. A.; Nizam, A.

    2010-01-01

    This study was performed to investigate the influence of sizing treatment on carbon fiber in respect of interfacial adhesion in composite materials, Epolam registered 2025. Fortafil unsized carbon fiber was used to performed the experiment. The fiber was commercially surface treated and it was a polyacrylonitrile based carbon fiber with 3000 filament per strand. Epicure registered 3370 was used as basic sizing chemical and dissolved in two types of solvent, ethanol and acetone for the comparison purpose. The single pull out test has been used to determine the influence of sizing on carbon fiber. The morphology of carbon fiber was observed by atomic force microscopy (AFM) and scanning electron microscopy (SEM). The apparent interfacial strength IFSS values determined by pull out test for the Epicure registered 3370/ethanol sized carbon fiber pointed to a good interfacial behaviour compared to the Epicure registered 3370/acetone sized carbon fiber. The Epicure registered 3370/ethanol sizing agent was found to be effective in promoting adhesion because of the chemical reactions between the sizing and Epolam registered 2025 during the curing process. From this work, it showed that sized carbon fiber using Epicure registered 3370 with addition of ethanol give higher mechanical properties of carbon fiber in terms of shear strength and also provided a good adhesion between fiber and matrix compared to the sizing chemical that contain acetone as a solvent.

  9. The equivalency between logic Petri workflow nets and workflow nets.

    Science.gov (United States)

    Wang, Jing; Yu, ShuXia; Du, YuYue

    2015-01-01

    Logic Petri nets (LPNs) can describe and analyze batch processing functions and passing value indeterminacy in cooperative systems. Logic Petri workflow nets (LPWNs) are proposed based on LPNs in this paper. Process mining is regarded as an important bridge between modeling and analysis of data mining and business process. Workflow nets (WF-nets) are the extension to Petri nets (PNs), and have successfully been used to process mining. Some shortcomings cannot be avoided in process mining, such as duplicate tasks, invisible tasks, and the noise of logs. The online shop in electronic commerce in this paper is modeled to prove the equivalence between LPWNs and WF-nets, and advantages of LPWNs are presented.

  10. The Equivalency between Logic Petri Workflow Nets and Workflow Nets

    Science.gov (United States)

    Wang, Jing; Yu, ShuXia; Du, YuYue

    2015-01-01

    Logic Petri nets (LPNs) can describe and analyze batch processing functions and passing value indeterminacy in cooperative systems. Logic Petri workflow nets (LPWNs) are proposed based on LPNs in this paper. Process mining is regarded as an important bridge between modeling and analysis of data mining and business process. Workflow nets (WF-nets) are the extension to Petri nets (PNs), and have successfully been used to process mining. Some shortcomings cannot be avoided in process mining, such as duplicate tasks, invisible tasks, and the noise of logs. The online shop in electronic commerce in this paper is modeled to prove the equivalence between LPWNs and WF-nets, and advantages of LPWNs are presented. PMID:25821845

  11. Shape-Tunable Charge Carrier Dynamics at the Interfaces between Perovskite Nanocrystals and Molecular Acceptors

    KAUST Repository

    Ahmed, Ghada H.

    2016-09-19

    Hybrid organic/inorganic perovskites have recently emerged as an important class of materials and have exhibited remarkable performance in photovoltaics. To further improve their device efficiency, an insightful understanding of the interfacial charge transfer (CT) process is required. Here, we report the first direct experimental observation of the tremendous effect that the shape of perovskite nanocrystals (NCs) has on interfacial CT in the presence of a molecular acceptor. A dramatic change in CT dynamics at the interfaces of three different NC shapes, spheres, platelets, and cubes, is recorded. Our results clearly demonstrate that the mechanism of CT is significantly affected by the NC shape. More importantly, the results demonstrate that complexation on the NC surface acts as an additional driving force not only to tune the CT dynamics but also to control the reaction mechanism at the interface. This observation opens a new venue for further developing perovskite NCs-based applications.

  12. Shape-Tunable Charge Carrier Dynamics at the Interfaces between Perovskite Nanocrystals and Molecular Acceptors

    KAUST Repository

    Ahmed, Ghada H.; Liu, Jiakai; Parida, Manas R.; Banavoth, Murali; Bose, Riya; AlYami, Noktan; Hedhili, Mohamed N.; Peng, Wei; Pan, Jun; Besong, Tabot M.D.; Bakr, Osman; Mohammed, Omar F.

    2016-01-01

    Hybrid organic/inorganic perovskites have recently emerged as an important class of materials and have exhibited remarkable performance in photovoltaics. To further improve their device efficiency, an insightful understanding of the interfacial charge transfer (CT) process is required. Here, we report the first direct experimental observation of the tremendous effect that the shape of perovskite nanocrystals (NCs) has on interfacial CT in the presence of a molecular acceptor. A dramatic change in CT dynamics at the interfaces of three different NC shapes, spheres, platelets, and cubes, is recorded. Our results clearly demonstrate that the mechanism of CT is significantly affected by the NC shape. More importantly, the results demonstrate that complexation on the NC surface acts as an additional driving force not only to tune the CT dynamics but also to control the reaction mechanism at the interface. This observation opens a new venue for further developing perovskite NCs-based applications.

  13. Effective Electrostatic Interactions Between Two Overall Neutral Surfaces with Quenched Charge Heterogeneity Over Atomic Length Scale

    Science.gov (United States)

    Zhou, S.

    2017-12-01

    Using Monte Carlo results as a reference, a classical density functional theory ( CDFT) is shown to reliably predict the forces between two heterogeneously charged surfaces immersed in an electrolyte solution, whereas the Poisson-Boltzmann ( PB) theory is demonstrated to deteriorate obviously for the same system even if the system parameters considered fall within the validity range of the PB theory in the homogeneously charged surfaces. By applying the tested CDFT, we study the effective electrostatic potential of mean force ( EPMF) between two face-face planar and hard surfaces of zero net charge on which positive and negative charges are separated and considered to present as discontinuous spots on the inside edges of the two surfaces. Main conclusions are summarized as follows: (i) strength of the EPMF in the surface charge separation case is very sensitively and positively correlated with the surface charge separation level and valency of the salt ion. Particularly, the charge separation level and the salt ion valency have a synergistic effect, which makes high limit of the EPMF strength in the surface charge separation case significantly go beyond that of the ideal homogeneously charged surface counterpart at average surface charge density similar to the average surface positive or negative charge density in the charge separation case. (ii) The surface charge distribution patterns mainly influence sign of the EPMF: symmetrical and asymmetrical patterns induce repulsive and attractive (at small distances) EPMF, respectively; but with low valency salt ions and low charge separation level the opposite may be the case. With simultaneous presence of both higher valency cation and anion, the EPMF can be repulsive at intermediate distances for asymmetrical patterns. (iii) Salt ion size has a significant impact, which makes the EPMF tend to become more and more repulsive with the ion diameter regardless of the surface charge distribution patterns and the valency of

  14. The effect of interfacial charge transfer on ferromagnetism in perovskite oxide superlattices

    Energy Technology Data Exchange (ETDEWEB)

    Yang, F. [Univ. of California, Davis, CA (United States). Department of Chemical Engineering and Materials Science; Gu, M. [Univ. of California, Davis, CA (United States). Department of Chemical Engineering and Materials Science; Arenholz, E. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS); Browning, N. D. [Univ. of California, Davis, CA (United States). Department of Molecular and Cellular Biology; Takamura, Y. [Univ. of California, Davis, CA (United States). Department of Chemical Engineering and Materials Science

    2012-01-05

    We investigate the structural, magnetic, and electrical properties of superlattices composed of the ferromagnetic/metal La0.7Sr0.3MnO3 and non-magnetic/metal La0.5Sr0.5TiO3 grown on (001)-oriented SrTiO3 substrates. Using a combination of bulk magnetometry, soft x-ray magnetic spectroscopy, and scanning transmission electron microscopy, we demonstrate that robust ferromagnetic properties can be maintained in this superlattice system where charge transfer at the interfaces is minimized. Thus, ferromagnetism can be controlled effectively through the chemical identity and the thickness of the individual superlattice layers.

  15. Polyindole/ carboxylated-multiwall carbon nanotube composites produced by in-situ and interfacial polymerization

    International Nuclear Information System (INIS)

    Joshi, Leela; Singh, Arun Kumar; Prakash, Rajiv

    2012-01-01

    Composites of polyindole (PIn), a conducting polymer, with carboxylated-multiwalled carbon nanotubes (c-MWCNT/PIn) were synthesized; the synthesis was done using (i) two miscible solvents (in-situ method) and (ii) two immiscible solvents (interfacial method). A tubular composite, with a uniform coating of the polymer over c-MWCNTs, was observed in the case of interfacial synthesis. However, the in-situ synthesis of c-MWCNT/PIn composites exhibited a densely packed spherical morphology, with c-MWCNT incorporated within the polymer spheres. The spherical morphology was probably obtained due to fast polymerization kinetics and the formation of micelles in case of in-situ polymerization, whereas tubular morphology was obtained in case of interfacial polymerization due to the sufficient time provided for the growth of polymer chains over the c-MWCNT surfaces. Nanoscale electrical properties of composites, in a metal/(c-MWCNT/PIn) configuration, were studied using current sensing atomic force microscopy. Interfacial c-MWCNT/PIn composite, on Al metal substrate, exhibited a typical rectifying diode behavior. This composite had manifested enormous potential for electronic applications and fabrication of nanoscale organic devices. Highlights: ► Polyindole/c-MWNT nanocomposites produced by in-situ and interfacial polymerization. ► Densely packed spherical morphology was observed in in-situ polymerization route. ► Tubular core-shell morphology was observed in interfacial polymerization route. ► Interfacial nanocomposite manifested a nano-schottky junction with Al metal.

  16. Cellular automaton and elastic net for event reconstruction in the NEMO-2 experiment

    International Nuclear Information System (INIS)

    Kovalenko, V.

    1997-01-01

    A cellular automaton for track searching and an elastic net for charged particle trajectory fitting are presented. The advantages of the methods are: simplicity of the algorithms, fast and stable convergence to real tracks, and a reconstruction efficiency close to 100%. Demonstration programs are available at http://nuweb.jinr.dubna.su/LNP/NEMO using a Java enabled browser. (orig.)

  17. Interfacial structures of confined air-water two-phase bubbly flow

    Energy Technology Data Exchange (ETDEWEB)

    Kim, S.; Ishii, M.; Wu, Q.; McCreary, D.; Beus, S.G.

    2000-08-01

    The interfacial structure of the two-phase flows is of great importance in view of theoretical modeling and practical applications. In the present study, the focus is made on obtaining detailed local two-phase parameters in the air-water bubbly flow in a rectangular vertical duct using the double-sensor conductivity probe. The characteristic wall-peak is observed in the profiles of the interracial area concentration and the void fraction. The development of the interfacial area concentration along the axial direction of the flow is studied in view of the interfacial area transport and bubble interactions. The experimental data is compared with the drift flux model with C{sub 0} = 1.35.

  18. Charge-transfer complexes and their role in exciplex emission and near-infrared photovoltaics.

    Science.gov (United States)

    Ng, Tsz-Wai; Lo, Ming-Fai; Fung, Man-Keung; Zhang, Wen-Jun; Lee, Chun-Sing

    2014-08-20

    Charge transfer and interactions at organic heterojunctions (OHJs) are known to have critical influences on various properties of organic electronic devices. In this Research News article, a short review is given from the electronic viewpoint on how the local molecular interactions and interfacial energetics at P/N OHJs contribute to the recombination/dissociation of electron-hole pairs. Very often, the P-type materials donate electrons to the N-type materials, giving rise to charge-transfer complexes (CTCs) with a P(δ+) -N(δ-) configuration. A recently observed opposite charge-transfer direction in OHJs is also discussed (i.e., N-type material donates electrons to P-type material to form P(δ-) -N(δ+) ). Recent studies on the electronic structures of CTC-forming material pairs are also summarized. The formation of P(δ-) -N(δ+) -type CTCs and their correlations with exciplex emission are examined. Furthermore, the potential applications of CTCs in NIR photovoltaic devices are reviewed. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Interfacial waves generated by electrowetting-driven contact line motion

    Science.gov (United States)

    Ha, Jonghyun; Park, Jaebum; Kim, Yunhee; Shin, Bongsu; Bae, Jungmok; Kim, Ho-Young

    2016-10-01

    The contact angle of a liquid-fluid interface can be effectively modulated by the electrowetting-on-dielectric (EWOD) technology. Rapid movement of the contact line can be achieved by swift changes of voltage at the electrodes, which can give rise to interfacial waves under the strong influence of surface tension. Here we experimentally demonstrate EWOD-driven interfacial waves of overlapping liquids and compare their wavelength and decay length with the theoretical results obtained by a perturbation analysis. Our theory also allows us to predict the temporal evolution of the interfacial profiles in either rectangular or cylindrical containers, as driven by slipping contact lines. This work builds a theoretical framework to understand and predict the dynamics of capillary waves of a liquid-liquid interface driven by EWOD, which has practical implications on optofluidic devices used to guide light.

  20. Analysis of Conduction and Charging Mechanisms in Atomic Layer Deposited Multilayered HfO2/Al2O3 Stacks for Use in Charge Trapping Flash Memories

    Directory of Open Access Journals (Sweden)

    Nenad Novkovski

    2018-01-01

    Full Text Available Method for characterization of electrical and trapping properties of multilayered high permittivity stacks for use in charge trapping flash memories is proposed. Application of the method to the case of multilayered HfO2/Al2O3 stacks is presented. By applying our previously developed comprehensive model for MOS structures containing high-κ dielectrics on the J-V characteristics measured in the voltage range without marked degradation and charge trapping (from −3 V to +3 V, several parameters of the structure connected to the interfacial layer and the conduction mechanisms have been extracted. We found that the above analysis gives precise information on the main characteristics and the quality of the injection layer. C-V characteristics of stressed (with write and erase pulses structures recorded in a limited range of voltages between −1 V and +1 V (where neither significant charge trapping nor visible degradation of the structures is expected to occur were used in order to provide measures of the effect of stresses with no influence of the measurement process. Both trapped charge and the distribution of interface states have been determined using modified Terman method for fresh structures and for structures stressed with write and erase cycles. The proposed method allows determination of charge trapping and interface state with high resolution, promising a precise characterization of multilayered high permittivity stacks for use in charge trapping flash memories.

  1. Interfacial area transport in a confined Bubbly flow

    Energy Technology Data Exchange (ETDEWEB)

    Kim, S.; Sun, X.; Ishii, M. [Purdue Univ., Lafayette, IN (United States). School of Nuclear Engineering; Lincoln, F. [Bettis Atomic Power Lab., West Mifflin, Bechtel Bettis, Inc., PA (United States)

    2001-07-01

    The interfacial area transport equation applicable to the bubbly flow is presented. The model is evaluated against the data acquired in an adiabatic air-water upward two-phase flow loop with a test section of 20 cm in width and 1 cm in gap. In general, a good agreement, within the measurement error of {+-}10%, is observed for a wide range in the bubbly flow regime. The sensitivity analysis on the individual particle interaction mechanisms demonstrates the active interactions between the bubbles and highlights the mechanisms playing the dominant role in interfacial area transport. (author)

  2. Charging and switching of ferroelectrets: how much can ferroelectrets behave like ferroelectrics?

    International Nuclear Information System (INIS)

    Schwoediauer, R.; Graz, I.; Bauer, S.

    2004-01-01

    Dielectrics with good charge storage capability, so called charge electrets, are non or weakly-polar materials. Despite their non-polar nature porous charge electrets with internally charged surfaces can exhibit very pronounced piezoelectricity. Such systems have been termed 'ferroelectrets' and they have been receiving growing attention over the last few years. Their puzzling and unexpected features resemble very much those normally known from traditional ferroelectrics: ferroelectrets are piezo- and pyroelectric, their polarization can be reversed by means of an external field and electrical as well as mechanical hysteresis loops were observed. As conventional ferroelectrics are different and more complicated than ferromagnets, so are ferroelectrets different and more complex than most ferroelectrics. Here we report about the very different charging and switching mechanism in ferroelectrets, both in simple model-systems and in less simple foam structures. These mechanisms are crucial and form the basis for the striking phenomenological similarities to ferroelectrics. We also want to address some of the specific peculiarities and pitfalls related to present ferroelectrets and their characterization. Interfacial charge injection at high electric fields and anelastic non-linearities, for instance, can be the cause for false ferroelectric-like hysteresis effects which do not reflect any polarization reversal. Our contribution is an attempt towards a more comprehensive picture of how much ferroelectrets behave like ferroelectrics. (author)

  3. Coloured Petri Nets

    DEFF Research Database (Denmark)

    Jensen, Kurt

    1987-01-01

    The author describes a Petri net model, called coloured Petri nets (CP-nets), by means of which it is possible to describe large systems without having to cope with unnecessary details. The author introduces CP-nets and provide a first impression of their modeling power and the suitability...

  4. Possible charge analogues of spin transfer torques in bulk superconductors

    Science.gov (United States)

    Garate, Ion

    2014-03-01

    Spin transfer torques (STT) occur when electric currents travel through inhomogeneously magnetized systems and are important for the motion of magnetic textures such as domain walls. Since superconductors are easy-plane ferromagnets in particle-hole (charge) space, it is natural to ask whether any charge duals of STT phenomena exist therein. We find that the superconducting analogue of the adiabatic STT vanishes in a bulk superconductor with a momentum-independent order parameter, while the superconducting counterpart of the nonadiabatic STT does not vanish. This nonvanishing superconducting torque is induced by heat (rather than charge) currents and acts on the charge (rather than spin) degree of freedom. It can become significant in the vicinity of the superconducting transition temperature, where it generates a net quasiparticle charge and alters the dispersion and linewidth of low-frequency collective modes. This work has been financially supported by Canada's NSERC.

  5. Spin current induced by a charged tip in a quantum point contact

    Energy Technology Data Exchange (ETDEWEB)

    Shchamkhalova, B.S., E-mail: s.bagun@gmail.com

    2017-03-15

    We show that the charged tip of the probe microscope, which is widely used in studying the electron transport in low-dimensional systems, induces a spin current. The effect is caused by the spin–orbit interaction arising due to an electric field produced by the charged tip. The tip acts as a spin-flip scatterer giving rise to the spin polarization of the net current and the occurrence of a spin density in the system.

  6. Interfacial tension in systems involving TBP in dodecane, nitric acid, uranyl nitrate and water

    International Nuclear Information System (INIS)

    Kolarik, Z.; Pipkin, N.

    1982-08-01

    The interfacial tension was measured at 25 0 C in the systems TBP - n-dodecane/nitric acid - water and TBP - n-dodecane/nitric acid - uranyl nitrate - water. Empirical equations describing the interfacial tension as a function of the concentration of TBP in the starting organic phase and of uranium-(VI) and nitric acid in the equilibrium aqueous phase were suggested. In the absence of uranium (VI), the interfacial tension can also be correlated with the concentration of water in the equilibrium organic phase. Free TBP, hydrated or nonhydrated, and hydrated TBP solvates of nitric acid are interfacially active. Anhydrous TBP solvates of nitric acid and the TBP solvate of uranyl nitrate, which neither is hydrated, do not exhibit any visible interfacial activity. (orig.) [de

  7. Net one, net two: the primary care network income statement.

    Science.gov (United States)

    Halley, M D; Little, A W

    1999-10-01

    Although hospital-owned primary care practices have been unprofitable for most hospitals, some hospitals are achieving competitive advantage and sustainable practice operations. A key to the success of some has been a net income reporting tool that separates practice operating expenses from the costs of creating and operating a network of practices to help healthcare organization managers, physicians, and staff to identify opportunities to improve the network's financial performance. This "Net One, Net Two" reporting allows operations leadership to be held accountable for Net One expenses and strategic leadership to be held accountable for Net Two expenses.

  8. Interfacial fracture of dentin adhesively bonded to quartz-fiber reinforced composite

    International Nuclear Information System (INIS)

    Melo, Renata M.; Rahbar, Nima; Soboyejo, Wole

    2011-01-01

    The paper presents the results of an experimental study of interfacial failure in a multilayered structure consisting of a dentin/resin cement/quartz-fiber reinforced composite (FRC). Slices of dentin close to the pulp chamber were sandwiched by two half-circle discs made of a quartz-fiber reinforced composite, bonded with bonding agent (All-bond 2, BISCO, Schaumburg) and resin cement (Duo-link, BISCO, Schaumburg) to make Brazil-nut sandwich specimens for interfacial toughness testing. Interfacial fracture toughness (strain energy release rate, G) was measured as a function of mode mixity by changing loading angles from 0 deg. to 15 deg. The interfacial fracture surfaces were then examined using Scanning Electron Microscopy (SEM) and Energy Dispersive X-ray Spectroscopy (EDX) to determine the failure modes when loading angles changed. A computational model was also developed to calculate the driving forces, stress intensity factors and mode mixities. Interfacial toughness increased from ∼ 1.5 to 3.2 J/m 2 when the loading angle increases from ∼ 0 to 15 deg. The hybridized dentin/cement interface appeared to be tougher than the resin cement/quartz-fiber reinforced epoxy. The Brazil-nut sandwich specimen was a suitable method to investigate the mechanical integrity of dentin/cement/FRC interfaces.

  9. Ferroelectric ferrimagnetic LiFe2F6 : Charge-ordering-mediated magnetoelectricity

    Science.gov (United States)

    Lin, Ling-Fang; Xu, Qiao-Ru; Zhang, Yang; Zhang, Jun-Jie; Liang, Yan-Ping; Dong, Shuai

    2017-12-01

    Trirutile-type LiFe2F6 is a charge-ordered material with an Fe2 +/Fe3 + configuration. Here, its physical properties, including magnetism, electronic structure, phase transition, and charge ordering, are studied theoretically. On one hand, the charge ordering leads to improper ferroelectricity with a large polarization. On the other hand, its magnetic ground state can be tuned from the antiferromagnetic to ferrimagnetic by moderate compressive strain. Thus, LiFe2F6 can be a rare multiferroic with both large magnetization and polarization. Most importantly, since the charge ordering is the common ingredient for both ferroelectricity and magnetization, the net magnetization may be fully switched by flipping the polarization, rendering intrinsically strong magnetoelectric effects and desirable functions.

  10. Electronic structures of interfacial states formed at polymeric semiconductor heterojunctions

    Science.gov (United States)

    Huang, Ya-Shih; Westenhoff, Sebastian; Avilov, Igor; Sreearunothai, Paiboon; Hodgkiss, Justin M.; Deleener, Caroline; Friend, Richard H.; Beljonne, David

    2008-06-01

    Heterojunctions between organic semiconductors are central to the operation of light-emitting and photovoltaic diodes, providing respectively for electron-hole capture and separation. However, relatively little is known about the character of electronic excitations stable at the heterojunction. We have developed molecular models to study such interfacial excited electronic excitations that form at the heterojunction between model polymer donor and polymer acceptor systems: poly(9,9-dioctylfluorene-co-bis-N,N-(4-butylphenyl)-bis-N,N-phenyl-1,4-phenylenediamine) (PFB) with poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT), and poly(9,9-dioctylfluorene-co-N-(4-butylphenyl)diphenylamine) (TFB) with F8BT. We find that for stable ground-state geometries the excited state has a strong charge-transfer character. Furthermore, when partly covalent, modelled radiative lifetimes (~10-7s) and off-chain axis polarization (30∘) match observed `exciplex' emission. Additionally for the PFB:F8BT blend, geometries with fully ionic character are also found, thus accounting for the low electroluminescence efficiency of this system.

  11. Heterolytic dissociative adsorption state of dihydrogen favored by interfacial defects

    Science.gov (United States)

    Song, Zhenjun; Hu, Hanshi; Xu, Hu; Li, Yong; Cheng, Peng; Zhao, Bin

    2018-03-01

    The atomic-scale insight into dihydrogen on MgO(001) surface deposited on molybdenum substrate with interfacial defects was investigated in detail by employing density functional methods Here we report novel dissociative adsorption behaviors of single hydrogen molecule on the usually inert oxide surfaces, with consideration of two types of dissociation schemes. The heterolytic dissociation state -Mg(H)-O(H)- of dihydrogen is impossible to obtain on neighboring O-Mg sites of perfect bulk MgO(001) terraces. Unusually, the hydrogen molecule can form heterolytic fragmentation states on metal supported MgO(001) films with very low activation barrier (0.398 eV), and the heterolytic dissociation state is much more favorable than homolytic dissociation state both energetically and kinetically in all cases. Electronic properties and bonding attribution of adsorbates and the oxide-metal hybrid structure are revealed by analyzing density of states, differential charge densities, orbital interaction and electron localization function. The characteristic changes to the property and activity of magnesia (001) can have potential application in catalytic reactions.

  12. Effect of antiferromagnetic interfacial coupling on spin-wave resonance frequency of multi-layer film

    Energy Technology Data Exchange (ETDEWEB)

    Qiu, Rong-ke, E-mail: rkqiu@163.com; Cai, Wei

    2017-08-15

    Highlights: • A quantum approach is developed to study the SWR of a bicomponent multi-layer films. • The comparison of the SWR in films with FM and AFM interfacial coupling has been made. • The present results show the method to enhance and adjust the SWR frequency of films. - Abstract: We investigate the spin-wave resonance (SWR) frequency in a bicomponent bilayer and triple-layer films with antiferromagnetic or ferromagnetic interfacial couplings, as function of interfacial coupling, surface anisotropy, interface anisotropy, thickness and external magnetic field, using the linear spin-wave approximation and Green’s function technique. The microwave properties for multi-layer magnetic film with antiferromagnetic interfacial coupling is different from those for multi-layer magnetic film with ferromagnetic interfacial coupling. For the bilayer film with antiferromagnetic interfacial couplings, as the lower (upper) surface anisotropy increases, only the SWR frequencies of the odd (even) number modes increase. The lower (upper) surface anisotropy does not affect the SWR frequencies of the even (odd) number modes{sub .} For the multi-layer film with antiferromagnetic interfacial coupling, the SWR frequency of modes m = 1, 3 and 4 decreases while that of mode m = 2 increases with increasing thickness of the film within a proper parameter region. The present results could be useful in enhancing our fundamental understanding and show the method to enhance and adjust the SWR frequency of bicomponent multi-layer magnetic films with antiferromagnetic or ferromagnetic interfacial coupling.

  13. Frontiers of interfacial water research :workshop report.

    Energy Technology Data Exchange (ETDEWEB)

    Cygan, Randall Timothy; Greathouse, Jeffery A.

    2005-10-01

    Water is the critical natural resource of the new century. Significant improvements in traditional water treatment processes require novel approaches based on a fundamental understanding of nanoscale and atomic interactions at interfaces between aqueous solution and materials. To better understand these critical issues and to promote an open dialog among leading international experts in water-related specialties, Sandia National Laboratories sponsored a workshop on April 24-26, 2005 in Santa Fe, New Mexico. The ''Frontiers of Interfacial Water Research Workshop'' provided attendees with a critical review of water technologies and emphasized the new advances in surface and interfacial microscopy, spectroscopy, diffraction, and computer simulation needed for the development of new materials for water treatment.

  14. Protein Charge and Mass Contribute to the Spatio-temporal Dynamics of Protein-Protein Interactions in a Minimal Proteome

    Science.gov (United States)

    Xu, Yu; Wang, Hong; Nussinov, Ruth; Ma, Buyong

    2013-01-01

    We constructed and simulated a ‘minimal proteome’ model using Langevin dynamics. It contains 206 essential protein types which were compiled from the literature. For comparison, we generated six proteomes with randomized concentrations. We found that the net charges and molecular weights of the proteins in the minimal genome are not random. The net charge of a protein decreases linearly with molecular weight, with small proteins being mostly positively charged and large proteins negatively charged. The protein copy numbers in the minimal genome have the tendency to maximize the number of protein-protein interactions in the network. Negatively charged proteins which tend to have larger sizes can provide large collision cross-section allowing them to interact with other proteins; on the other hand, the smaller positively charged proteins could have higher diffusion speed and are more likely to collide with other proteins. Proteomes with random charge/mass populations form less stable clusters than those with experimental protein copy numbers. Our study suggests that ‘proper’ populations of negatively and positively charged proteins are important for maintaining a protein-protein interaction network in a proteome. It is interesting to note that the minimal genome model based on the charge and mass of E. Coli may have a larger protein-protein interaction network than that based on the lower organism M. pneumoniae. PMID:23420643

  15. Performance improvement of charge-trap memory by using a stacked Zr{sub 0.46}Si{sub 0.54}O{sub 2}/Al{sub 2}O{sub 3} charge-trapping layer

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Zhenjie; Hu, Dan; Zhang, Xiwei; Zhao, Yage [College of Physics and Electronic Engineering, Anyang Normal University, Anyang 455000 (China); Li, Rong [School of Mathematics and Statistics, Anyang Normal University, Anyang 455000 (China)

    2016-11-15

    The postdeposition annealing (PDA)-treated charge-trap flash memory capacitor with stacked Zr{sub 0.46}Si{sub 0.54}O{sub 2}/Al{sub 2}O{sub 3} charge-trapping layer flanked by a SiO{sub 2} tunneling oxide and an Al{sub 2}O{sub 3} blocking oxide was fabricated and investigated. It is observed that the memory capacitor exhibits prominent memory characteristics with large memory windows 12.8 V in a ±10 V gate sweeping voltage range, faster program/erase speed, and good data-retention characteristics even at 125 C compared to a single charge-trapping layer (Zr{sub 0.46}Si{sub 0.54}O{sub 2}, Zr{sub 0.79}Si{sub 0.21}O{sub 2}, and Zr{sub 0.46}Al{sub 1.08}O{sub 2.54}). The quantum wells and introduced interfacial traps of the stacked trapping layer regulate the storage and loss behavior of charges, and jointly contribute to the improved memory characteristics. Hence, the memory capacitor with a stacked trapping layer is a promising candidate in future nonvolatile charge-trap memory device design and application. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  16. Interfacial tensions of binary mixtures of ethanol with octane, decane, dodecane, and tetradecane

    International Nuclear Information System (INIS)

    Mejia, Andres; Cartes, Marcela; Segura, Hugo

    2011-01-01

    Highlights: → Experimental interfacial tensions in binary mixtures with aneotropic behavior. → Experimental interfacial tensions for ethanol + hydrocarbon mixtures. → Aneotropic displacement in ethanol mixtures. - Abstract: This contribution is devoted to the experimental characterization of interfacial tensions of a representative group of binary mixtures pertaining to the (ethanol + linear hydrocarbon) series (i.e. octane, decane, dodecane, and tetradecane). Experimental measurements were isothermically performed using a maximum differential bubble pressure technique, which was applied over the whole mole fraction range and over the temperature range 298.15 K < T/K < 318.15 K. Experimental results show that the interfacial tensions of (ethanol + octane or decane) negatively deviate from the linear behavior and that sharp minimum points on concentration, or aneotropes, are observed for each isotherm. The interfacial tensions of (ethanol + dodecane or tetradecane), in turn, are characterized by combined deviations from the linear behavior, and inflecting behavior observed on concentration for each isotherm. The experimental evidence also shows that these latter mixtures are close to exhibit aneotropy. For the case of (ethanol + octane or decane) mixtures, aneotropy was clearly induced by the similarity of the interfacial tension values of the constituents. The inflecting behavior of the interfacial tensions of (ethanol + dodecane or tetradecane), in turn, was observed in the vicinity of the coordinates of the critical point of these mixtures, thus pointing to the fact that the quasi-aneotropic singularity that affects these mixtures was provoked by the proximity of an immiscibility gap of the liquid phase. Finally, the experimental data of interfacial tensions were smoothed with the Scott-Myers expansion, from which it is possible to conclude that the observed aneotropic concentrations weakly depend on temperature for all the analyzed mixtures.

  17. Electrostatic correlations in inhomogeneous charged fluids beyond loop expansion.

    Science.gov (United States)

    Buyukdagli, Sahin; Achim, C V; Ala-Nissila, T

    2012-09-14

    Electrostatic correlation effects in inhomogeneous symmetric electrolytes are investigated within a previously developed electrostatic self-consistent theory [R. R. Netz and H. Orland, Eur. Phys. J. E 11, 301 (2003)]. To this aim, we introduce two computational approaches that allow to solve the self-consistent equations beyond the loop expansion. The first method is based on a perturbative Green's function technique, and the second one is an extension of a previously introduced semiclassical approximation for single dielectric interfaces to the case of slit nanopores. Both approaches can handle the case of dielectrically discontinuous boundaries where the one-loop theory is known to fail. By comparing the theoretical results obtained from these schemes with the results of the Monte Carlo simulations that we ran for ions at neutral single dielectric interfaces, we first show that the weak coupling Debye-Huckel theory remains quantitatively accurate up to the bulk ion density ρ(b) ≃ 0.01 M, whereas the self-consistent theory exhibits a good quantitative accuracy up to ρ(b) ≃ 0.2 M, thus improving the accuracy of the Debye-Huckel theory by one order of magnitude in ionic strength. Furthermore, we compare the predictions of the self-consistent theory with previous Monte Carlo simulation data for charged dielectric interfaces and show that the proposed approaches can also accurately handle the correlation effects induced by the surface charge in a parameter regime where the mean-field result significantly deviates from the Monte Carlo data. Then, we derive from the perturbative self-consistent scheme the one-loop theory of asymmetrically partitioned salt systems around a dielectrically homogeneous charged surface. It is shown that correlation effects originate in these systems from a competition between the salt screening loss at the interface driving the ions to the bulk region, and the interfacial counterion screening excess attracting them towards the surface

  18. Electrostatic correlations in inhomogeneous charged fluids beyond loop expansion

    Science.gov (United States)

    Buyukdagli, Sahin; Achim, C. V.; Ala-Nissila, T.

    2012-09-01

    Electrostatic correlation effects in inhomogeneous symmetric electrolytes are investigated within a previously developed electrostatic self-consistent theory [R. R. Netz and H. Orland, Eur. Phys. J. E 11, 301 (2003)], 10.1140/epje/i2002-10159-0. To this aim, we introduce two computational approaches that allow to solve the self-consistent equations beyond the loop expansion. The first method is based on a perturbative Green's function technique, and the second one is an extension of a previously introduced semiclassical approximation for single dielectric interfaces to the case of slit nanopores. Both approaches can handle the case of dielectrically discontinuous boundaries where the one-loop theory is known to fail. By comparing the theoretical results obtained from these schemes with the results of the Monte Carlo simulations that we ran for ions at neutral single dielectric interfaces, we first show that the weak coupling Debye-Huckel theory remains quantitatively accurate up to the bulk ion density ρb ≃ 0.01 M, whereas the self-consistent theory exhibits a good quantitative accuracy up to ρb ≃ 0.2 M, thus improving the accuracy of the Debye-Huckel theory by one order of magnitude in ionic strength. Furthermore, we compare the predictions of the self-consistent theory with previous Monte Carlo simulation data for charged dielectric interfaces and show that the proposed approaches can also accurately handle the correlation effects induced by the surface charge in a parameter regime where the mean-field result significantly deviates from the Monte Carlo data. Then, we derive from the perturbative self-consistent scheme the one-loop theory of asymmetrically partitioned salt systems around a dielectrically homogeneous charged surface. It is shown that correlation effects originate in these systems from a competition between the salt screening loss at the interface driving the ions to the bulk region, and the interfacial counterion screening excess attracting

  19. Iridium Interfacial Stack (IRIS)

    Science.gov (United States)

    Spry, David James (Inventor)

    2015-01-01

    An iridium interfacial stack ("IrIS") and a method for producing the same are provided. The IrIS may include ordered layers of TaSi.sub.2, platinum, iridium, and platinum, and may be placed on top of a titanium layer and a silicon carbide layer. The IrIS may prevent, reduce, or mitigate against diffusion of elements such as oxygen, platinum, and gold through at least some of its layers.

  20. State-of-the-art report on the theoretical modeling of interfacial area concentration

    International Nuclear Information System (INIS)

    Lee, Won Jae; Euh, Dong Jin

    1998-03-01

    Classical approaches based on experimental correlations and the mechanistic approaches based on the interfacial area concentration were reviewed. The study focuses on the state-of-the-art researches based on the mechanistic modeling of the interfacial area concentration. The investigation is performed by classifying the mechanistic modeling approaches into those using the number density transport equations supported with a simple algebraic relation for obtaining interfacial area concentration and those using the direct interfacial area transport equations. The modeling approaches are subdivided into one group and multi-group models. The state-of-the-art source terms of transport equations are also investigated for their applicability and limitations. (author). 62 refs., 6 tabs., 49 figs

  1. Multiscale structure, interfacial cohesion, adsorbed layers, miscibility and properties in dense polymer-particle mixtures

    Science.gov (United States)

    Schweizer, Ken

    2012-02-01

    A major goal in polymer nanocomposite research is to understand and predict how the chemical and physical nature of individual polymers and nanoparticles, and thermodynamic state (temperature, composition, solvent dilution, filler loading), determine bulk assembly, miscibility and properties. Microscopic PRISM theory provides a route to this goal for equilibrium disordered mixtures. A major prediction is that by manipulating the net polymer-particle interfacial attraction, miscibility is realizable via the formation of thin thermodynamically stable adsorbed layers, which, however, are destroyed by entropic depletion and bridging attraction effects if interface cohesion is too weak or strong, respectively. This and related issues are quantitatively explored for miscible mixtures of hydrocarbon polymers, silica nanospheres, and solvent using x-ray scattering, neutron scattering and rheology. Under melt conditions, quantitative agreement between theory and silica scattering experiments is achieved under both steric stabilization and weak depletion conditions. Using contrast matching neutron scattering to characterize the collective structure factors of polymers, particles and their interface, the existence and size of adsorbed polymer layers, and their consequences on microstructure, is determined. Failure of the incompressible RPA, accuracy of PRISM theory, the nm thickness of adsorbed layers, and qualitative sensitivity of the bulk modulus to interfacial cohesion and particle size are demonstrated for concentrated PEO-silica-ethanol nanocomposites. Temperature-dependent complexity is discovered when water is the solvent, and nonequilibrium effects emerge for adsorbing entangled polymers that strongly impact structure. By varying polymer chemistry, the effect of polymer-particle attraction on the intrinsic viscosity is explored with striking non-classical effects observed. This work was performed in collaboration with S.Y.Kim, L.M.Hall, C.Zukoski and B.Anderson.

  2. Charge Transfer Channels in Formation of Exciplex in Polymer Blends

    Science.gov (United States)

    Dou, Fei; Zhang, Xin-Ping

    2011-09-01

    The strong dependence of photoluminescence of charge transfer excited states or exciplex in a blend film of poly(9,9'-dioctylfluorene-co-benzothiadiazole) (F8BT) and poly(9,9'-dioctylfluorene-co-bis-N,N'-(4-butylphenyl)-bis-N,N'-phenyl-1,4- phenylenediamine) (PFB) on the excitation wavelengths and morphology is investigated. The experimental results reveal that electron transfer in the LUMOs from PFB to F8BT is more efficient than hole transfer in the HOMOs from PFB to F8BT for the formation of exciplex at the interfacial junctions between these two types of molecules in the blend film. Furthermore, energy transfer from the blue-emitting PFB to the green-emitting F8BT at the interfaces introduces an additional two-step channel and thus enhances the formation of an exciplex. This is important for understanding of charge generation and separation in organic bulk heterojunctions and for design of optoelectronic devices.

  3. Charge Transfer Channels in Formation of Exciplex in Polymer Blends

    International Nuclear Information System (INIS)

    Dou Fei; Zhang Xin-Ping

    2011-01-01

    The strong dependence of photoluminescence of charge transfer excited states or exciplex in a blend film of poly(9,9'-dioctylfluorene-co-benzothiadiazole) (F8BT) and poly(9,9'-dioctylfluorene-co-bis-N,N'-(4-butylphenyl)-bis-N,N'-phenyl-1,4- phenylenediamine) (PFB) on the excitation wavelengths and morphology is investigated. The experimental results reveal that electron transfer in the LUMOs from PFB to F8BT is more efficient than hole transfer in the HOMOs from PFB to F8BT for the formation of exciplex at the interfacial junctions between these two types of molecules in the blend film. Furthermore, energy transfer from the blue-emitting PFB to the green-emitting F8BT at the interfaces introduces an additional two-step channel and thus enhances the formation of an exciplex. This is important for understanding of charge generation and separation in organic bulk heterojunctions and for design of optoelectronic devices. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  4. Interfacial thermodynamics of water and six other liquid solvents.

    Science.gov (United States)

    Pascal, Tod A; Goddard, William A

    2014-06-05

    We examine the thermodynamics of the liquid-vapor interface by direct calculation of the surface entropy, enthalpy, and free energy from extensive molecular dynamics simulations using the two-phase thermodynamics (2PT) method. Results for water, acetonitrile, cyclohexane, dimethyl sulfoxide, hexanol, N-methyl acetamide, and toluene are presented. We validate our approach by predicting the interfacial surface tensions (IFT--excess surface free energy per unit area) in excellent agreement with the mechanical calculations using Kirkwood-Buff theory. Additionally, we evaluate the temperature dependence of the IFT of water as described by the TIP4P/2005, SPC/Ew, TIP3P, and mW classical water models. We find that the TIP4P/2005 and SPC/Ew water models do a reasonable job of describing the interfacial thermodynamics; however, the TIP3P and mW are quite poor. We find that the underprediction of the experimental IFT at 298 K by these water models results from understructured surface molecules whose binding energies are too weak. Finally, we performed depth profiles of the interfacial thermodynamics which revealed long tails that extend far into what would be considered bulk from standard Gibbs theory. In fact, we find a nonmonotonic interfacial free energy profile for water, a unique feature that could have important consequences for the absorption of ions and other small molecules.

  5. Spatial charge motion on an uniform density matrix-general equations in opened and closed circuits

    International Nuclear Information System (INIS)

    Aguiar Monsanto, S. de.

    1983-01-01

    The motion of a space charge cloud embedded in a matrix of constant immobile charge density is studied in open as well as in closed circuit. In the first case, open circuit, the solution is almost trivial as compared as the other one in which, after some work, the problem is reduced to an ordinary differential equation. The method of solution is parallel to that employed in the study of monopolar free space charge motion. The voltage and the current produced by a system with no net charge but with unbalanced local charge density were calculated using the general equations derived in the first part of the work. (Author) [pt

  6. Interfacial phenomena as related to oil recovery mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Melrose, J C

    1970-12-01

    Thermodynamic and hydrostatic principles are applied to commingled immiscible fluid phases occupying the interstices fo a porous solid. Particular attention is given to the conditions of hydrostatic equilibrium for systems which include both fluid-fluid interfacial and 3-phase contact line regions. The configurational stability of fluid interfaces also is examined. Some model pore systems are considered, and estimates obtained for the magnitude of the hysteresis in capillary pressure in such cases. These considerations define the role of interfacial phenomena in determining the extent to which a nonwetting fluid can be displaced from a porous solid. (31 refs.)

  7. Ionic Liquids as the MOFs/Polymer Interfacial Binder for Efficient Membrane Separation.

    Science.gov (United States)

    Lin, Rijia; Ge, Lei; Diao, Hui; Rudolph, Victor; Zhu, Zhonghua

    2016-11-23

    Obtaining strong interfacial affinity between filler and polymer is critical to the preparation of mixed matrix membranes (MMMs) with high separation efficiency. However, it is still a challenge for micron-sized metal organic frameworks (MOFs) to achieve excellent compatibility and defect-free interface with polymer matrix. Thin layer of ionic liquid (IL) was immobilized on micron-sized HKUST-1 to eliminate the interfacial nonselective voids in MMMs with minimized free ionic liquid (IL) in polymer matrix, and then the obtained IL decorated HKUST-1 was incorporated into 4,4'-(hexafluoroisopropylidene)diphthalic anhydride-2,3,5,6-tetramethyl-1,3-phenyldiamine (6FDA-Durene) to fabricate MMMs. Acting as a filler/polymer interfacial binder, the favorable MOF/IL and IL/polymer interaction can facilitate the enhancement of MOF/polymer affinity. Compared to MMM with only HKUST-1 incorporation, MMM with IL decorated HKUST-1 succeeded in restricting the formation of nonselective interfacial voids, leading to an increment in CO 2 selectivity. The IL decoration method can be an effective approach to eliminate interfacial voids in MMMs, extending the filler selection to a wide range of large-sized fillers.

  8. Emissions and Cost Implications of Controlled Electric Vehicle Charging in the U.S. PJM Interconnection.

    Science.gov (United States)

    Weis, Allison; Michalek, Jeremy J; Jaramillo, Paulina; Lueken, Roger

    2015-05-05

    We develop a unit commitment and economic dispatch model to estimate the operation costs and the air emissions externality costs attributable to new electric vehicle electricity demand under controlled vs uncontrolled charging schemes. We focus our analysis on the PJM Interconnection and use scenarios that characterize (1) the most recent power plant fleet for which sufficient data are available, (2) a hypothetical 2018 power plant fleet that reflects upcoming plant retirements, and (3) the 2018 fleet with increased wind capacity. We find that controlled electric vehicle charging can reduce associated generation costs by 23%-34% in part by shifting loads to lower-cost, higher-emitting coal plants. This shift results in increased externality costs of health and environmental damages from increased air pollution. On balance, we find that controlled charging of electric vehicles produces negative net social benefits in the recent PJM grid but could have positive net social benefits in a future grid with sufficient coal retirements and wind penetration.

  9. Interfacial free energy and stiffness of aluminum during rapid solidification

    International Nuclear Information System (INIS)

    Brown, Nicholas T.; Martinez, Enrique; Qu, Jianmin

    2017-01-01

    Using molecular dynamics simulations and the capillary fluctuation method, we have calculated the anisotropic crystal-melt interfacial free energy and stiffness of aluminum in a rapid solidification system where a temperature gradient is applied to enforce thermal non-equilibrium. To calculate these material properties, the standard capillary fluctuation method typically used for systems in equilibrium has been modified to incorporate a second-order Taylor expansion of the interfacial free energy term. The result is a robust method for calculating interfacial energy, stiffness and anisotropy as a function of temperature gradient using the fluctuations in the defined interface height. This work includes the calculation of interface characteristics for temperature gradients ranging from 11 to 34 K/nm. The captured results are compared to a thermal equilibrium case using the same model and simulation technique with a zero gradient definition. We define the temperature gradient as the change in temperature over height perpendicular to the crystal-melt interface. The gradients are applied in MD simulations using defined thermostat regions on a stable solid-liquid interface initially in thermal equilibrium. The results of this work show that the interfacial stiffness and free energy for aluminum are dependent on the magnitude of the temperature gradient, however the anisotropic parameters remain independent of the non-equilibrium conditions applied in this analysis. As a result, the relationships of the interfacial free energy/stiffness are determined to be linearly related to the thermal gradient, and can be interpolated to find material characteristics at additional temperature gradients.

  10. Magneto-Ionic Control of Interfacial Magnetic Anisotorpy

    Science.gov (United States)

    Bauer, Uwe; Emori, Satoru; Beach, Geoffrey

    2014-03-01

    Voltage control of magnetism could bring about revolutionary new spintronic memory and logic devices. Here, we examine domain wall (DW) dynamics in ultrathin Co films and nanowires under the influence of a voltage applied across a gadolinium oxide gate dielectric that simultaneously acts as an oxygen ion conductor. We investigate two electrode configurations, one with a continuous gate dielectric and the other with a patterned gate dielectric which exhibits an open oxide edge right underneath the electrode perimeter. We demonstrate that the open oxide edge acts as a fast diffusion path for oxygen ions and allows voltage-induced switching of magnetic anisotropy at the nanoscale by modulating interfacial chemistry rather than charge density. At room temperature this effect is limited to the vicinity of the open oxide edge, but at a temperature of 100°C it allows complete control over magnetic anisotropy across the whole electrode area, due to higher oxygen ion mobility at elevated temperature. We then harness this novel ``magneto-ionic'' effect to create unprecedentedly strong voltage-induced anisotropy modifications of 3000 fJ/Vm and create electrically programmable DW traps with pinning strengths of 650 Oe, enough to bring to a standstill DWs travelling at speeds of at least 20 m/s. This work is supported by the National Science Foundation through grant ECCS-1128439.

  11. Evidence of interfacial charge trapping mechanism in polyaniline/reduced graphene oxide nanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Islam, Rakibul; Brun, Jean-François; Roussel, Frederick, E-mail: frederick.roussel@univ-lille1.fr [University of Lille, Sciences & Technologies, Unité Matériaux et Transformations (UMET), UMR CNRS 8207, U.F.R. de Physique, P5, 59655 Villeneuve d' Ascq Cedex (France); COMUE Lille Nord de France, BP 50458-59658 Villeneuve d' Ascq Cedex (France); Papathanassiou, Anthony N. [Physics Department, Solid State Physics Section, University of Athens, Panepistimiopolis, GR15784 Zografos, Athens (Greece); Chan Yu King, Roch [Science Division, University of Science and Arts of Oklahoma, Chickasha, Oklahoma 73018 (United States)

    2015-08-03

    Relaxation mechanisms in polyaniline (PANI)/Reduced Graphene Oxide (RGO) nanocomposites are investigated using broad band dielectric spectroscopy. The multilayered nanostructural features of the composites and the intimate interactions between PANI and RGO are evidenced by field emission scanning electron microscopy, transmission electron microscopy, and Raman spectroscopy. Increasing the RGO fraction in the composites results in a relaxation process observed at a frequency of ca. 5 kHz. This mechanism is associated with an electrical charge trapping phenomenon occurring at the PANI/RGO interfaces. The dielectric relaxation processes are interpreted according to the Sillars approach and the results are consistent with the presence of conducting prolate spheroids (RGO) embedded into a polymeric matrix (PANI). Dielectric permittivity data are analyzed within the framework of the Kohlrausch-William-Watts model, evidencing a Debye-like relaxation process.

  12. Mechanism of charge transport in ligand-capped crystalline CdTe nanoparticles according to surface photovoltaic and photoacoustic results

    Energy Technology Data Exchange (ETDEWEB)

    Li Kuiying, E-mail: kuiyingli@ysu.edu.cn [National Laboratory of Metastable Materials Manufacture Technology and Science, Yanshan University, Hebei Str. 438, Qinhuangdao, Hebei Province 066004 (China); Zhang Hao [Key Laboratory for Supramolecular Structure and Materials, College of Chemistry, Jilin University, Changchun 130012 (China); Yang Weiyong; Wei Sailing [National Laboratory of Metastable Materials Manufacture Technology and Science, Yanshan University, Hebei Str. 438, Qinhuangdao, Hebei Province 066004 (China); Wang Dayang, E-mail: dayang@mpikg-golm.mpg.de [Max Planck Institute of Colloids and Interfaces, Potsdam 14424 (Germany)

    2010-09-01

    By combining surface photovoltaic and photoacoustic techniques, we probed the photogenerated charge transport channels of 3-mercaptopropionic acid (MPA)- and 2-mercaptoethylamine (MA)-capped crystalline CdTe nanoparticles on illumination with UV-near IR light. The results experimentally confirmed the presence of a CdS shell outside the CdTe core that formed through the self-assembly and decomposition of mercapto ligands during CdTe preparation. The data revealed that the CdS layer was partly responsible for the deexcitation behavior of the photogenerated carriers, which is related to the quantum tunnel effect. Experiments demonstrated that two quantum wells were located at wavelengths of 440 and 500 nm in buried interfacial space-charge regions, whereas the formation of a ligand layer obstructed charge transfer transitions of the core CdTe nanoparticles to a certain extent.

  13. Improving Multi-Functional Properties in Polymer Based Nano Composites by Interfacial

    Science.gov (United States)

    Tajaddod, Navid

    Polymer nanocomposites (PNCs) have become an area of increasing interest for study in the field of polymer science and technology since the rise of nanotechnology research. Despite the significant amount of progress being made towards producing high quality PNC materials, improvement in the mechanical, electrical, thermal and other functional properties still remain a challenge. To date, these properties are only a fraction of the expected theoretical values predicted for these materials. Development of interfacial regions between the filler and matrix within the composite has been found to be an important focus in terms of processing. Proper interfacial control and development may ensure excellent interaction and property transfer between the filler and polymer matrix in addition to improvement of multi-functional properties of PNCs. The property-structure importance for the existence of the interfacial and interphase region within PNCs is discussed in this thesis work. Two specific PNC systems are selected for study as part of this dissertation in order to understand the effect of interfacial region development on influencing multi-functional property trends. Polyethylene (PE)/boron nitride (BN) and polyacrylonitrile (PAN)/carbon nanotube (CNT) composites were selected to investigate their mechanical performance and thermal and electrical conductivity properties, respectively. For these systems it was found that the interfacial region structure is directly related to the enhancement of the subsequent multi-functional properties.

  14. Influence of the shell thickness and charge distribution on the effective interaction between two like-charged hollow spheres.

    Science.gov (United States)

    Angelescu, Daniel G; Caragheorgheopol, Dan

    2015-10-14

    The mean-force and the potential of the mean force between two like-charged spherical shells were investigated in the salt-free limit using the primitive model and Monte Carlo simulations. Apart from an angular homogeneous distribution, a discrete charge distribution where point charges localized on the shell outer surface followed an icosahedral arrangement was considered. The electrostatic coupling of the model system was altered by the presence of mono-, trivalent counterions or small dendrimers, each one bearing a net charge of 9 e. We analyzed in detail how the shell thickness and the radial and angular distribution of the shell charges influenced the effective interaction between the shells. We found a sequence of the potential of the mean force similar to the like-charged filled spheres, ranging from long-range purely repulsive to short-range purely attractive as the electrostatic coupling increased. Both types of potentials were attenuated and an attractive-to-repulsive transition occurred in the presence of trivalent counterions as a result of (i) thinning the shell or (ii) shifting the shell charge from the outer towards the inner surface. The potential of the mean force became more attractive with the icosahedrally symmetric charge model, and additionally, at least one shell tended to line up with 5-fold symmetry axis along the longest axis of the simulation box at the maximum attraction. The results provided a basic framework of understanding the non-specific electrostatic origin of the agglomeration and long-range assembly of the viral nanoparticles.

  15. USING MOLECULAR PROBES TO STUDY INTERFACIAL REDOX REACTION AT FE-BEARING SMECTITES

    Science.gov (United States)

    The interfacial electron transfer of clay-water systems has a wide range of significance in geochemical and biogeochernical environments. However the mechanism of interfacial electron transport is poorly understood. The electron transfer mechanism at the solid-water interfaces of...

  16. Collisions of highly stripped ions at MeV energies in gas targets: charge transfer and ionization

    International Nuclear Information System (INIS)

    Schlachter, A.S.

    1980-01-01

    Cross sections have been measured for charge transfer and ionization in H 2 and rare-gas targets by fast, highly ionized carbon, iron, niobium, and lead ions in charge states +3 to +59, with energies in the range 0.1 to 4.8 MeV/amu. Experimental results are compared with classical-trajectory calculations; agreement is generally good. For a given target, the cross sections for net ionization reduce to a common curve when plotted as cross section divided by charge state versus energy per nucleon divided by charge state

  17. Charge retention in deep inelastic electroproduction

    International Nuclear Information System (INIS)

    Erickson, R.; Cohen, I.; Messing, F.; Nordberg, E.; Siemann, R.; Smith-Kintner, J.; Stein, P.; Drews, G.; Gebert, W.; Janata, F.

    1978-11-01

    We have measured the net charge of the forward hadrons electroproduced from a proton target and have observed a rise with increasing x (=Q 2 /2Mv). This effect is expected in the quark-parton model as the electroproduction of hadrons becomes dominated by the fragmentation of u quarks. The data are also consistent with jet models in which a high momentum leading hadron is more likely to be carrying the parent quark than is a slower hadron. (orig.) [de

  18. Baryon stopping and charged particle production from lead-lead collisions at 158 GeV per nucleon

    International Nuclear Information System (INIS)

    Toy, Milton Y.

    1999-01-01

    Net proton (proton minus antiproton) and negative charge hadron spectra (h-) from central Pb+Pb collisions at 158 GeV per nucleon at the CERN Super Proton Synchrotron were measured and compared to spectra from central collisions of the lighter S+S system. Net baryon distributions were derived from those of net protons and net lambdas. Stopping, or rapidity shift with respect to the beam, of net protons and net baryons increase with system size. The mean transverse momentum T >60; T >62; of net protons also increase with system size. The h- rapidity density scales with the number of participant nucleons for nuclear collisions, where their T >60; T >62; is independent of system size. The T >60; T >62; dependence upon particle mass and system size is consistent with larger transverse flow velocity at midrapidity for central collisions of Pb+Pb compared to that of S+S

  19. Influence of oxidation temperature on the interfacial properties of n-type 4H-SiC MOS capacitors

    Energy Technology Data Exchange (ETDEWEB)

    Jia, Yifan; Lv, Hongliang [School of Microelectronics, Xidian University, Key Laboratory of Wide Band Gap Semiconductor Materials and Devices, Xi’an 710071 (China); Song, Qingwen, E-mail: qwsong@xidian.edu.cn [School of Microelectronics, Xidian University, Key Laboratory of Wide Band Gap Semiconductor Materials and Devices, Xi’an 710071 (China); School of Advanced Materials and Nanotechnology, Xidian University, Xi’an 710071 (China); Tang, Xiaoyan, E-mail: xytang@xidian.edu.cn [School of Microelectronics, Xidian University, Key Laboratory of Wide Band Gap Semiconductor Materials and Devices, Xi’an 710071 (China); Xiao, Li; Wang, Liangyong; Tang, Guangming [Zhongxing Telecommunication Equipment Corporation, Shenzhen 518057 (China); Zhang, Yimen; Zhang, Yuming [School of Microelectronics, Xidian University, Key Laboratory of Wide Band Gap Semiconductor Materials and Devices, Xi’an 710071 (China)

    2017-03-01

    Highlights: • Effect of oxidation temperature on interfacial properties of SiO{sub 2}/SiC is investigated. • Raising the oxidation temperature effectively decreases the density of NITs and N{sub eff}. • The higher oxidation temperature reduces the surface RMS roughness of the grow SiO{sub 2}. • SIMS and XPS results reveal the improvement mechanism of high temperature oxidation. - Abstract: The effect of oxidation temperature on interfacial properties of n-type 4H-SiC metal-oxide-semiconductor capacitors has been systematically investigated. Thermal dry oxidation process with three different oxidation temperatures 1200 °C, 1300 °C and 1350 °C were employed to grow SiO{sub 2} dielectric, following by the standard post-oxidation annealing (POA) in NO ambience at 1175 °C for 2 h. The root mean square (RMS) roughness measured by Atomic Force Microscopy for the thermally grown SiO{sub 2} before POA process is reduced with increasing the oxidation temperature, obtaining an atomically flat surface with a RMS of 0.157 nm from the sample oxidized at 1350 °C. Several kinds of electrical measurements were used to evaluate the densities of near interface traps and effective fixed dielectric charge for the samples, exhibiting a trend reduced with increasing the oxidation temperature. The interface state density of 3 × 10{sup 11} cm{sup −2}eV{sup −1} at 0.2 eV from the conduction band edge was achieved from conductance method measurement for the sample oxidized at 1350 °C. The results from Secondary Ion Mass Spectroscopy and X-ray Photoelectron Spectroscopy demonstrate that high oxidation temperature can reduce the width of transition layer, the excess Si and silicon suboxide compositions near the interface, leading to effective improvement of the interfacial properties.

  20. Optical Pumping of the Electronic and Nuclear Spin of Single Charge-Tunable Quantum Dots

    Science.gov (United States)

    Bracker, A. S.; Stinaff, E. A.; Gammon, D.; Ware, M. E.; Tischler, J. G.; Shabaev, A.; Efros, Al. L.; Park, D.; Gershoni, D.; Korenev, V. L.; Merkulov, I. A.

    2005-02-01

    We present a comprehensive examination of optical pumping of spins in individual GaAs quantum dots as we change the net charge from positive to neutral to negative with a charge-tunable heterostructure. Negative photoluminescence polarization memory is enhanced by optical pumping of ground state electron spins, which we prove with the first measurements of the Hanle effect on an individual quantum dot. We use the Overhauser effect in a high longitudinal magnetic field to demonstrate efficient optical pumping of nuclear spins for all three charge states of the quantum dot.

  1. Contribution to the study of low-energy X-ray-induced degradations on the oxide-silicon interfacial transition layer of MOS structures

    International Nuclear Information System (INIS)

    Boukabache, Ali

    1983-01-01

    The Si-SiO_2 interface is considered as a transition layer. Its thickness is typically about 10 A. It contains traps which exchange charges with silicon by a tunneling mechanism. Its influence on MOS capacitor, gate-controlled diode and MOS transistor is analyzed. Long channel MOST's (P-Substrate) are irradiated with low energy X-ray (between 0 and 240 Krads) in order to validate the model. Capacitance, recombination velocity and 1/f noise measurements indicate that the X- ray induce traps distributed in space and in energy. These traps provoke a decrease in mobility. Additionally, X-rays create a fixed oxide charge which induce a shift in the characteristics of MOS structures. Finally, under irradiation the behaviour of the gate-controlled diode and the MOS capacitor are in accordance with theoretical model of the interfacial layer. The overall noise behaviour cannot be explained by existing theoretical models. (author) [fr

  2. Factors affecting use of permethrin-treated bed nets during a randomized controlled trial in western Kenya

    NARCIS (Netherlands)

    Alaii, Jane A.; Hawley, William A.; Kolczak, Margarette S.; ter Kuile, Feiko O.; Gimnig, John E.; Vulule, John M.; Odhacha, Amos; Oloo, Aggrey J.; Nahlen, Bernard L.; Phillips-Howard, Penelope A.

    2003-01-01

    Adherence with permethrin-treated bed net (ITN) use and their proper deployment was directly observed in 2,178 individuals (784 households) participating in a large-scale trial of ITNs on child mortality in western Kenya. The ITNs were distributed free of charge to ensure high coverage, resulting in

  3. Calculation of Interfacial Tensions of Hydrocarbon-water Systems under Reservoir Conditions

    DEFF Research Database (Denmark)

    Zuo, You-Xiang; Stenby, Erling Halfdan

    1998-01-01

    Assuming that the number densities of each component in a mixture are linearly distributed across the interface between the coexisting vapor-liquid or liquid-liquid phases, we developed in this research work a linear-gradient-theory (LGT) model for computing the interfacial tension of hydrocarbon......-brine systems. The new model was tested on a number of hydrocarbon-water/brine mixtures and two crude oil-water systems under reservoir conditions. The results show good agreement between the predicted and the experimental interfacial tension data.......Assuming that the number densities of each component in a mixture are linearly distributed across the interface between the coexisting vapor-liquid or liquid-liquid phases, we developed in this research work a linear-gradient-theory (LGT) model for computing the interfacial tension of hydrocarbon-water...... mixtures on the basis of the SRK equation of state. With this model, it is unnecessary to solve the time-consuming density-profile equations of the gradient-theory model. In addition, a correlation was developed for representing the effect of electrolytes on the interfacial tension of hydrocarbon...

  4. Long-range interaction between heterogeneously charged membranes.

    Science.gov (United States)

    Jho, Y S; Brewster, R; Safran, S A; Pincus, P A

    2011-04-19

    Despite their neutrality, surfaces or membranes with equal amounts of positive and negative charge can exhibit long-range electrostatic interactions if the surface charge is heterogeneous; this can happen when the surface charges form finite-size domain structures. These domains can be formed in lipid membranes where the balance of the different ranges of strong but short-ranged hydrophobic interactions and longer-ranged electrostatic repulsion result in a finite, stable domain size. If the domain size is large enough, oppositely charged domains in two opposing surfaces or membranes can be strongly correlated by the electrostatic interactions; these correlations give rise to an attractive interaction of the two membranes or surfaces over separations on the order of the domain size. We use numerical simulations to demonstrate the existence of strong attractions at separations of tens of nanometers. Large line tensions result in larger domains but also increase the charge density within the domain. This promotes correlations and, as a result, increases the intermembrane attraction. On the other hand, increasing the salt concentration increases both the domain size and degree of domain anticorrelation, but the interactions are ultimately reduced due to increased screening. The result is a decrease in the net attraction as salt concentration is increased. © 2011 American Chemical Society

  5. Dust particle charge and screening in the collisional RF plasma sheath

    NARCIS (Netherlands)

    Beckers, J.; Trienekens, D.J.M.; Kroesen, G.M.W.; Sprouse, G.D.

    2012-01-01

    Once immersed in plasma, a dust particle gathers a highly negative charge due to the net collection of free electrons. In most plasma's on earth and with particle sizes is in the micrometer range, the gravitational force is dominant and consequently the particle ends up within the plasma sheath

  6. Facilely solving cathode/electrolyte interfacial issue for high-voltage lithium ion batteries by constructing an effective solid electrolyte interface film

    International Nuclear Information System (INIS)

    Xu, Jingjing; Xia, Qingbo; Chen, Fangyuan; Liu, Tao; Li, Li; Cheng, Xueyuan; Lu, Wei; Wu, Xiaodong

    2016-01-01

    The cathode/electrolyte interface stability is the key factor for the cyclic performance and the safety performance of lithium ion batteries. Suppression of consuming key elements in the electrode materials is essential in this concern. In this purpose, we investigate a facile strategy to solve interfacial issue for high-voltage lithium ion batteries by adding an oxidable fluorinated phosphate, Bis(2,2,2-trifluoroethyl) Phosphite (BTFEP), as a sacrificial additive in electrolyte. We demonstrate that BTFEP additive could be oxidized at slightly above 4.28 V which is a relatively lower voltage than that of solvents, and the oxidative products facilitate in-situ forming a stable solid electrolyte interphase (SEI) film on the cathode surface. The results manifest the SEI film validly restrains the generation of HF and the interfacial side reaction between high-voltage charged LiNi 0.5 Mn 1.5 O 4 (LNMO) and electrolyte, hence, the dissolution of Mn and Ni is effectively suppressed. Finally, the cyclic performance of LNMO after 200 cycles was remarkably improved from 68.4% in blank electrolyte to 95% in 1 wt% BTFEP-adding electrolyte.

  7. Ultrafast Interfacial Electron and Hole Transfer from CsPbBr3 Perovskite Quantum Dots.

    Science.gov (United States)

    Wu, Kaifeng; Liang, Guijie; Shang, Qiongyi; Ren, Yueping; Kong, Degui; Lian, Tianquan

    2015-10-14

    Recently reported colloidal lead halide perovskite quantum dots (QDs) with tunable photoluminescence (PL) wavelengths covering the whole visible spectrum and exceptionally high PL quantum yields (QYs, 50-90%) constitute a new family of functional materials with potential applications in light-harvesting and -emitting devices. By transient absorption spectroscopy, we show that the high PL QYs (∼79%) can be attributed to negligible electron or hole trapping pathways in CsPbBr3 QDs: ∼94% of lowest excitonic states decayed with a single-exponential time constant of 4.5 ± 0.2 ns. Furthermore, excitons in CsPbBr3 QDs can be efficiently dissociated in the presence of electron or hole acceptors. The half-lives of electron transfer (ET) to benzoquinone and subsequent charge recombination are 65 ± 5 ps and 2.6 ± 0.4 ns, respectively. The half-lives for hole transfer (HT) to phenothiazine and the subsequent charge recombination are 49 ± 6 ps and 1.0 ± 0.2 ns, respectively. The lack of electron and hole traps and fast interfacial ET and HT rates are key properties that may enable the development of efficient lead halide perovskite QDs-based light-harvesting and -emitting devices.

  8. Role of molecular charge in nucleocytoplasmic transport.

    Directory of Open Access Journals (Sweden)

    Alexander Goryaynov

    Full Text Available Transport of genetic materials and proteins between the nucleus and cytoplasm of eukaryotic cells is mediated by nuclear pore complexes (NPCs. A selective barrier formed by phenylalanine-glycine (FG nucleoporins (Nups with net positive charges in the NPC allows for passive diffusion of signal-independent small molecules and transport-receptor facilitated translocation of signal-dependent cargo molecules. Recently, negative surface charge was postulated to be another essential criterion for selective passage through the NPC. However, the charge-driven mechanism in determining the transport kinetics and spatial transport route for either passive diffusion or facilitated translocation remains obscure. Here we employed high-speed single-molecule fluorescence microscopy with an unprecedented spatiotemporal resolution of 9 nm and 400 µs to uncover these mechanistic fundamentals for nuclear transport of charged substrates through native NPCs. We found that electrostatic interaction between negative surface charges on transiting molecules and the positively charged FG Nups, although enhancing their probability of binding to the NPC, never plays a dominant role in determining their nuclear transport mode or spatial transport route. A 3D reconstruction of transport routes revealed that small signal-dependent endogenous cargo protein constructs with high positive surface charges that are destined to the nucleus, rather than repelled from the NPC as suggested in previous models, passively diffused through an axial central channel of the NPC in the absence of transport receptors. Finally, we postulated a comprehensive map of interactions between transiting molecules and FG Nups during nucleocytoplasmic transport by combining the effects of molecular size, signal and surface charge.

  9. Evolution of interfacial Fermi level in In{sub 0.53}Ga{sub 0.47}As/high-κ/TiN gate stacks

    Energy Technology Data Exchange (ETDEWEB)

    Carr, Adra; Rozen, John; Frank, Martin M.; Ando, Takashi; Cartier, Eduard A.; Kerber, Pranita; Narayanan, Vijay; Haight, Richard [IBM T. J. Watson Research Center, P.O. Box 218, Yorktown Heights, New York 10598 (United States)

    2015-07-06

    The net charge state was probed of metal-oxide-semiconductor gate stacks consisting of In{sub 0.53}Ga{sub 0.47}As /high-κ dielectric/5 nm TiN, for both Al{sub 2}O{sub 3} and HfO{sub 2} dielectrics, via investigation of band bending at the InGaAs/high-κ interface. Using pump-probe photoelectron spectroscopy, changes to band bending were studied for each sequential layer deposited onto the InGaAs substrate and subsequent annealing up to 600 °C. Two behavioral regions were observed in annealing studies: (1) a lower temperature (<350 °C) region, attributed to changes at the high-κ/TiN interface, and (2) a higher temperature region (> 350 °C), associated with a net positive charge increase within the oxide. These band bending measurements delineate the impact of processing steps inherently inaccessible via capacitance-voltage electrical characterization.

  10. Organic photovoltaic device with interfacial layer and method of fabricating same

    Science.gov (United States)

    Marks, Tobin J.; Hains, Alexander W.

    2013-03-19

    An organic photovoltaic device and method of forming same. In one embodiment, the organic photovoltaic device has an anode, a cathode, an active layer disposed between the anode and the cathode; and an interfacial layer disposed between the anode and the active layer, the interfacial layer comprising 5,5'-bis[(p-trichlorosilylpropylphenyl)phenylamino]-2,2'-bithiophene (PABTSi.sub.2).

  11. Atomistic simulations of bulk, surface and interfacial polymer properties

    Science.gov (United States)

    Natarajan, Upendra

    In chapter I, quasi-static molecular mechanics based simulations are used to estimate the activation energy of phenoxy rings flips in the amorphous region of a semicrystalline polyimide. Intra and intermolecular contributions to the flip activation energy, the torsional cooperativity accompanying the flip, and the effect of the flip on the motion in the glassy bulk state, are looked at. Also, comparison of the weighted mean activation energy is made with experimental data from solid state NMR measurements; the simulated value being 17.5 kcal/mol., while the experimental value was observed to be 10.5 kcal/mol. Chapter II deals with construction of random copolymer thin films of styrene-butadiene (SB) and styrene-butadiene-acrylonitrile (SBA). The structure and properties of the free surfaces presented by these thin films are analysed by, the atom mass density profiles, backbone bond orientation function, and the spatial distribution of acrylonitrile groups and styrene rings. The surface energies of SB and SBA are calculated using an atomistic equation and are compared with experimental data in the literature. In chapter III, simulations of polymer-polymer interfaces between like and unlike polymers, specifically cis-polybutadiene (PBD) and atatic polypropylene (PP), are presented. The structure of an incompatible polymer-polymer interface, and the estimation of the thermodynamic work of adhesion and interfacial energy between different incompatible polymers, form the focus here. The work of adhesion is calculated using an atomistic equation and is further used in a macroscopic equation to estimate the interfacial energy. The interfacial energy is compared with typical values for other immiscible systems in the literature. The interfacial energy compared very well with interfacial energy values for a few other immiscible hydrocarbon pairs. In chapter IV, the study proceeds to look at the interactions between nonpolar and polar small molecules with SB and SBA thin

  12. Measurement of Interfacial Area Production and Permeability within Porous Media

    International Nuclear Information System (INIS)

    Crandall, Dustin; Ahmadi, Goodarz; Smith, Duane H.

    2010-01-01

    An understanding of the pore-level interactions that affect multi-phase flow in porous media is important in many subsurface engineering applications, including enhanced oil recovery, remediation of dense non-aqueous liquid contaminated sites, and geologic CO 2 sequestration. Standard models of two-phase flow in porous media have been shown to have several shortcomings, which might partially be overcome using a recently developed model based on thermodynamic principles that includes interfacial area as an additional parameter. A few static experimental studies have been previously performed, which allowed the determination of static parameters of the model, but no information exists concerning the interfacial area dynamic parameters. A new experimental porous flow cell that was constructed using stereolithography for two-phase gas-liquid flow studies was used in conjunction with an in-house analysis code to provide information on dynamic evolution of both fluid phases and gas-liquid interfaces. In this paper, we give a brief introduction to the new generalized model of two-phase flow model and describe how the stereolithography flow cell experimental setup was used to obtain the dynamic parameters for the interfacial area numerical model. In particular, the methods used to determine the interfacial area permeability and production terms are shown.

  13. Models and Correlations of Interfacial and Wall Frictions for the SPACE code

    International Nuclear Information System (INIS)

    Kim, Soo Hyung; Hwang, Moon Kyu; Chung, Bub Dong

    2010-04-01

    This report describes models and correlations for the interfacial and wall frictions implemented in the SPACE code which has the capability to predict thermal-hydraulic behavior of nuclear power plants. The interfacial and wall frictions are essential to solve the momentum conservation equations of gas, continuous liquid and droplet. The interfacial and wall frictions are dealt in the Chapter 2 and 3, respectively. In Chapter 4, selection criteria for models and correlations are explained. In Chapter 5, the origins of the selected models and correlations used in this code are examined to check whether they are in confliction with intellectual proprietary rights

  14. Interfacial push-out measurements of fully-bonded SiC/SiC composites

    International Nuclear Information System (INIS)

    Snead, L.L.; Steiner, D.; Zinkle, S.J.

    1990-01-01

    The direct measurement of interfacial bond strength and frictional resistance to sliding in a fully-bonded SiC/SiC composite is measured. It is shown that a fiber push-out technique can be utilized for small diameter fibers and very thin composite sections. Results are presented for a 22 micron thick section for which 37 out of 44 Nicalon fibers tested were pushed-out within the maximum nanoindentor load of 120 mN. Fiber interfacial yielding, push-out and sliding resistance were measured for each fiber. The distribution of interfacial strengths is treated as being Weibull in form. 14 refs., 5 figs

  15. Application of deconvolution interferometry with both Hi-net and KiK-net data

    Science.gov (United States)

    Nakata, N.

    2013-12-01

    Application of deconvolution interferometry to wavefields observed by KiK-net, a strong-motion recording network in Japan, is useful for estimating wave velocities and S-wave splitting in the near surface. Using this technique, for example, Nakata and Snieder (2011, 2012) found changed in velocities caused by Tohoku-Oki earthquake in Japan. At the location of the borehole accelerometer of each KiK-net station, a velocity sensor is also installed as a part of a high-sensitivity seismograph network (Hi-net). I present a technique that uses both Hi-net and KiK-net records for computing deconvolution interferometry. The deconvolved waveform obtained from the combination of Hi-net and KiK-net data is similar to the waveform computed from KiK-net data only, which indicates that one can use Hi-net wavefields for deconvolution interferometry. Because Hi-net records have a high signal-to-noise ratio (S/N) and high dynamic resolution, the S/N and the quality of amplitude and phase of deconvolved waveforms can be improved with Hi-net data. These advantages are especially important for short-time moving-window seismic interferometry and deconvolution interferometry using later coda waves.

  16. Interfacial recombination at /AlGa/As/GaAs heterojunction structures

    Science.gov (United States)

    Ettenberg, M.; Kressel, H.

    1976-01-01

    Experiments were conducted to determine the interfacial recombination velocity at Al0.25Ga0.75As/GaAs and Al0.5Ga0.5As/GaAs heterojunctions. The recombination velocity was derived from a study of the injected minority-carrier lifetime as a function of the junction spacing. It is found that for heterojunction spacings in excess of about 1 micron, the interfacial recombination can be characterized by a surface recombination velocity of 4,000 and 8,000 cm/sec for the two types of heterojunctions, respectively. For double-heterojunction spacings below 1 micron, the constancy of the minority-carrier lifetime suggests that the interfacial recombination velocity decreases effectively. This effect is technologically very important since it makes it possible to construct very low-threshold injection lasers. No such effect is observed in single-heterojunction diodes.

  17. Charge Injection and Current Flow in Organic Light Emitting Diodes

    Science.gov (United States)

    Smith, D. L.; Davids, P. S.; Heller, C. M.; Crone, B. K.; Campbell, I. H.; Barashkov, N. N.; Ferraris, J. P.

    1997-03-01

    We present a comparison between device model calculations and current-voltage measurements for a series of organic LED structures. The Schottky energy barrier of an injecting contact is systematically varied by changing the metal used to form that contact. The current-voltage characteristics of the structures are described using a device model that considers charge injection, transport and space charge effects in the low mobility organic material. Charge injection into the organic material is controlled by the Schottky energy barrier of the metal/organic contact. For Schottky energy barriers greater than about 0.4 eV injection into the organic material is the principal limitation to current flow. In this regime the net injected charge density is relatively small, the electric field in the structure is nearly uniform, and space charge effects are not important. For smaller energy barriers relatively large charge densities are injected into the organic material and space charge effects become the dominant limit to current flow. The measured current-voltage characteristics are quantitatively described by the device model using Schottky barrier values independently determined by internal photoemission and electroabsorption measurements.

  18. Internal structure and interfacial velocity development for bubbly two-phase flow

    International Nuclear Information System (INIS)

    Kocamustafaogullari, G.; Huang, W.D.

    1994-01-01

    This paper describes an experimental study of the internal structure of air-water flowing horizontally. The double-sensor resistivity probe technique was applied for measurements of local interfacial parameters, including void fraction, interfacial area concentration, bubble size distributions, bubble passing frequency and bubble interface velocity. Bubbly flow patterns at several flow conditions were examined at three axial locations, L/D=25, 148 and 253, in which the first measurement represents the entrance region where the flow develops, and the second and third may represent near fully developed bubbly flow patterns. The experimental results are presented in three-dimensional perspective plots of the interfacial parameters over the cross-section. These multi-dimensional presentations showed that the local values of the void fraction, interfacial area concentration and bubble passing frequency were nearly constant over the cross-section at L/D=25, with slight local peaking close to the channel wall. Although similar local peakings were observed at the second and third locations, the internal flow structure segregation due to buoyancy appeared to be very strong in the axial direction. A simple comparison of profiles of the interfacial parameters at the three locations indicated that the flow pattern development was a continuous process. Finally, it was shown that the so-called ''fully developed'' bubbly two-phase flow pattern cannot be established in a horizontal pipe and that there was no strong correspondence between void fraction and interface velocity profiles. ((orig.))

  19. Electric generation and ratcheted transport of contact-charged drops

    Science.gov (United States)

    Cartier, Charles A.; Graybill, Jason R.; Bishop, Kyle J. M.

    2017-10-01

    We describe a simple microfluidic system that enables the steady generation and efficient transport of aqueous drops using only a constant voltage input. Drop generation is achieved through an electrohydrodynamic dripping mechanism by which conductive drops grow and detach from a grounded nozzle in response to an electric field. The now-charged drops are transported down a ratcheted channel by contact charge electrophoresis powered by the same voltage input used for drop generation. We investigate how the drop size, generation frequency, and transport velocity depend on system parameters such as the liquid viscosity, interfacial tension, applied voltage, and channel dimensions. The observed trends are well explained by a series of scaling analyses that provide insight into the dominant physical mechanisms underlying drop generation and ratcheted transport. We identify the conditions necessary for achieving reliable operation and discuss the various modes of failure that can arise when these conditions are violated. Our results demonstrate that simple electric inputs can power increasingly complex droplet operations with potential opportunities for inexpensive and portable microfluidic systems.

  20. Electroless Formation of Hybrid Lithium Anodes for Fast Interfacial Ion Transport

    KAUST Repository

    Choudhury, Snehashis; Tu, Zhengyuan; Stalin, Sanjuna; Vu, Duylinh; Fawole, Kristen; Gunceler, Deniz; Sundararaman, Ravishankar; Archer, Lynden A.

    2017-01-01

    Rechargeable batteries based on metallic anodes are of interest for fundamental and application-focused studies of chemical and physical kinetics of liquids at solid interfaces. Approaches that allow facile creation of uniform coatings on these metals to prevent physical contact with liquid electrolytes, while enabling fast ion transport, are essential to address chemical instability of the anodes. Here, we report a simple electroless ion-exchange chemistry for creating coatings of indium on lithium. By means of joint density functional theory and interfacial characterization experiments, we show that In coatings stabilize Li by multiple processes, including exceptionally fast surface diffusion of lithium ions and high chemical resistance to liquid electrolytes. Indium coatings also undergo reversible alloying reactions with lithium ions, facilitating design of high-capacity hybrid In-Li anodes that use both alloying and plating approaches for charge storage. By means of direct visualization, we further show that the coatings enable remarkably compact and uniform electrodeposition. The resultant In-Li anodes are shown to exhibit minimal capacity fade in extended galvanostatic cycling when paired with commercial-grade cathodes.

  1. Electroless Formation of Hybrid Lithium Anodes for Fast Interfacial Ion Transport

    KAUST Repository

    Choudhury, Snehashis

    2017-08-17

    Rechargeable batteries based on metallic anodes are of interest for fundamental and application-focused studies of chemical and physical kinetics of liquids at solid interfaces. Approaches that allow facile creation of uniform coatings on these metals to prevent physical contact with liquid electrolytes, while enabling fast ion transport, are essential to address chemical instability of the anodes. Here, we report a simple electroless ion-exchange chemistry for creating coatings of indium on lithium. By means of joint density functional theory and interfacial characterization experiments, we show that In coatings stabilize Li by multiple processes, including exceptionally fast surface diffusion of lithium ions and high chemical resistance to liquid electrolytes. Indium coatings also undergo reversible alloying reactions with lithium ions, facilitating design of high-capacity hybrid In-Li anodes that use both alloying and plating approaches for charge storage. By means of direct visualization, we further show that the coatings enable remarkably compact and uniform electrodeposition. The resultant In-Li anodes are shown to exhibit minimal capacity fade in extended galvanostatic cycling when paired with commercial-grade cathodes.

  2. Interfacial Mechanics Analysis of a Brittle Coating–Ductile Substrate System Involved in Thermoelastic Contact

    Directory of Open Access Journals (Sweden)

    Chi Zhang

    2017-02-01

    Full Text Available In this paper, interfacial stress analysis for a brittle coating/ductile substrate system, which is involved in a sliding contact with a rigid ball, is presented. By combining interface mechanics theory and the image point method, stress and displacement responses within a coated material for normal load, tangential load, and thermal load are obtained; further, the Green’s functions are established. The effects of coating thickness, friction coefficient, and a coating’s thermoelastic properties on the interfacial shear stress, τxz, and transverse stress, σxx, distributions are discussed in detail. A phenomenon, where interfacial shear stress tends to be relieved by frictional heating, is found in the case of a coating material’s thermal expansion coefficient being less than a substrate material’s thermal expansion coefficient. Additionally, numerical results show that distribution of interfacial stress can be altered and, therefore, interfacial damage can be modified by adjusting a coating’s structural parameters and thermoelastic properties.

  3. Experimental study of interfacial shear stress for an analogy model of evaporative heat transfer

    International Nuclear Information System (INIS)

    Kwon, Hyuk; Park, GoonCherl; Min, ByungJoo

    2008-01-01

    In this study, we conducted measurements of an evaporative interfacial shear stress in a passive containment cooling system (PCCS). An interfacial shear stress for a counter-current flow was measured from a momentum balance equation and the interfacial friction factor for evaporation was evaluated by using experimental data. A model for the evaporative heat transfer coefficient of a vertical evaporative flat surface was developed based on an analogy between heat and momentum transfer. It was found that the interfacial shear stress increases with the Jacob number, which incorporates the evaporation rate, and the air and water Reynolds numbers. The relationship between the evaporative heat transfer and the interfacial shear stress was evaluated by using the experimental results. This relationship was used to develop a model for an evaporative heat transfer coefficient by using an analogy between heat and mass transfer. The prediction of this model were found to be in good agreement with the experimental data obtained for evaporative heat transfer by Kang and Park. (author)

  4. The impact of electrostatic interactions on ultrafast charge transfer at Ag 29 nanoclusters–fullerene and CdTe quantum dots–fullerene interfaces

    KAUST Repository

    Ahmed, Ghada H.

    2015-11-09

    A profound understanding of charge transfer (CT) at semiconductor quantum dots (QDs) and nanoclusters (NCs) interfaces is extremely important to optimize the energy conversion efficiency in QDs and NCs-based solar cell devices. Here, we report on the ground- and excited-state interactions at the interface of two different bimolecular non-covalent donor-acceptor (D-A) systems using steady-state and femtosecond transient absorption (fs-TA) spectroscopy with broadband capabilities. We systematically investigate the electrostatic interactions between the positively charged fullerene derivative C60-(N,N dimethylpyrrolidinium iodide) (CF) employed as an efficient molecular acceptor and two different donor molecules: Ag29 nanoclusters (NCs) and CdTe quantum dots (QDs). For comparison purposes, we also monitor the interaction of each donor molecule with the neutral fullerene derivative C60-(malonic acid)n, which has minimal electrostatic interactions. Our steady-state and time-resolved data demonstrate that both QDs and NCs have strong interfacial electrostatic interactions and dramatic fluorescence quenching when the CF derivative is present. In other words, our results reveal that only CF can be in close molecular proximity with the QDs and NCs, allowing ultrafast photoinduced CT to occur. It turned out that the intermolecular distances, electronic coupling and subsequently CT from the excited QDs or NCs to fullerene derivatives can be controlled by the interfacial electrostatic interactions. Our findings highlight some of the key variable components for optimizing CT at QDs and NCs interfaces, which can also be applied to other D-A systems that rely on interfacial CT. © The Royal Society of Chemistry 2016.

  5. Three-Dimensional Bioprinting of Oppositely Charged Hydrogels with Super Strong Interface Bonding.

    Science.gov (United States)

    Li, Huijun; Tan, Yu Jun; Liu, Sijun; Li, Lin

    2018-04-04

    A novel strategy to improve the adhesion between printed layers of three-dimensional (3D) printed constructs is developed by exploiting the interaction between two oppositely charged hydrogels. Three anionic hydrogels [alginate, xanthan, and κ-carrageenan (Kca)] and three cationic hydrogels [chitosan, gelatin, and gelatin methacrylate (GelMA)] are chosen to find the optimal combination of two oppositely charged hydrogels for the best 3D printability with strong interface bonding. Rheological properties and printability of the hydrogels, as well as structural integrity of printed constructs in cell culture medium, are studied as functions of polymer concentration and the combination of hydrogels. Kca2 (2 wt % Kca hydrogel) and GelMA10 (10 wt % GelMA hydrogel) are found to be the best combination of oppositely charged hydrogels for 3D printing. The interfacial bonding between a Kca layer and a GelMA layer is proven to be significantly higher than that of the bilayered Kca or bilayered GelMA because of the formation of polyelectrolyte complexes between the oppositely charged hydrogels. A good cell viability of >96% is obtained for the 3D-bioprinted Kca-GelMA construct. This novel strategy has a great potential for 3D bioprinting of layered constructs with a strong interface bonding.

  6. Probing interfacial electronic properties of graphene/CH3NH3PbI3 heterojunctions: A theoretical study

    Science.gov (United States)

    Hu, Jisong; Ji, Gepeng; Ma, Xinguo; He, Hua; Huang, Chuyun

    2018-05-01

    Interfacial interactions and electronic properties of graphene/CH3NH3PbI3 heterojunctions were investigated by first-principles calculations incorporating semiempirical dispersion-correction scheme to describe van der Waals interactions. Two lattice match configurations between graphene and CH3NH3PbI3(0 0 1) slab were constructed in parallel contact and both of them were verified to form remarkable van der Waals heterojunctions with similar work functions. Our calculated energy band structures show that the Dirac-cone of graphene and the direct band gap of CH3NH3PbI3 are still preserved in the heterojunctions, thus graphene can be a promising candidate either as a capping or supporting layer for encapsulating CH3NH3PbI3 layer. It is identified that the Schottky barrier of graphene/CH3NH3PbI3 heterojunctions can be controlled by the interlayer distance and affected by the stacking pattern of graphene and CH3NH3PbI3. The 3D charge density differences present the build-in internal electric field from graphene to CH3NH3PbI3 after interface equilibrium and thus, a low n-type Schottky barrier is needed for high efficient charge transferring in the interface. The possible mechanism of the band edge modulations in the heterojunctions and corresponding photoinduced charge transfer processes are also described.

  7. Surface and interfacial chemistry of high-k dielectric and interconnect materials on silicon

    Science.gov (United States)

    Kirsch, Paul Daniel

    Surfaces and interfaces play a critical role in the manufacture and function of silicon based integrated circuits. It is therefore reasonable to study the chemistries at these surfaces and interfaces to improve existing processes and to develop new ones. Model barium strontium titanate high-k dielectric systems have been deposited on ultrathin silicon oxynitride in ultrahigh vacuum. The resulting nanostructures are characterized with secondary ion mass spectroscopy (SIMS) and X-ray photoelectron spectroscopy (XPS). An interfacial reaction between Ba and Sr atoms and SiOxNy was found to create silicates, BaSixOy or SrSi xOy. Inclusion of N in the interfacial oxide decreased silicate formation in both Ba and Sr systems. Furthermore, inclusion of N in the interfacial oxide decreased the penetration of Ba and Sr containing species, such as silicides and silicates. Sputter deposited HfO2 was studied on nitrided and unnitrided Si(100) surfaces. XPS and SIMS were used to verify the presence of interfacial HfSixOy and estimate its relative amount on both nitrided and unnitrided samples. More HfSixOy formed without the SiNx interfacial layer. These interfacial chemistry results are then used to explain the electrical measurements obtained from metal oxide semiconductor (MOS) capacitors. MOS capacitors with interfacial SiNx exhibit reduced leakage current and increased capacitance. Lastly, surface science techniques were used to develop a processing technique for reducing thin films of copper (II) and copper (I) oxide to copper. Deuterium atoms (D*) and methyl radicals (CH3*) were shown to reduce Cu 2+ and/or Cu1+ to Cu0 within 30 min at a surface temperature of 400 K under a flux of 1 x 1015 atoms/cm2s. Temperature programmed desorption experiments suggest that oxygen leaves the surface as D2O and CO2 for the D* and CH3* treated surfaces, respectively.

  8. Ordered mesoporous silica prepared by quiescent interfacial growth method - effects of reaction chemistry

    Science.gov (United States)

    2013-01-01

    Acidic interfacial growth can provide a number of industrially important mesoporous silica morphologies including fibers, spheres, and other rich shapes. Studying the reaction chemistry under quiescent (no mixing) conditions is important for understanding and for the production of the desired shapes. The focus of this work is to understand the effect of a number of previously untested conditions: acid type (HCl, HNO3, and H2SO4), acid content, silica precursor type (TBOS and TEOS), and surfactant type (CTAB, Tween 20, and Tween 80) on the shape and structure of products formed under quiescent two-phase interfacial configuration. Results show that the quiescent growth is typically slow due to the absence of mixing. The whole process of product formation and pore structuring becomes limited by the slow interfacial diffusion of silica source. TBOS-CTAB-HCl was the typical combination to produce fibers with high order in the interfacial region. The use of other acids (HNO3 and H2SO4), a less hydrophobic silica source (TEOS), and/or a neutral surfactant (Tweens) facilitate diffusion and homogenous supply of silica source into the bulk phase and give spheres and gyroids with low mesoporous order. The results suggest two distinct regions for silica growth (interfacial region and bulk region) in which the rate of solvent evaporation and local concentration affect the speed and dimension of growth. A combined mechanism for the interfacial bulk growth of mesoporous silica under quiescent conditions is proposed. PMID:24237719

  9. Separation performance and interfacial properties of nanocomposite reverse osmosis membranes

    KAUST Repository

    Pendergast, MaryTheresa M.; Ghosh, Asim K.; Hoek, E.M.V.

    2013-01-01

    Four different types of nanocomposite reverse osmosis (RO) membranes were formed by interfacial polymerization of either polyamide (PA) or zeolite A-polyamide nanocomposite (ZA-PA) thin films over either pure polysulfone (PSf) or zeolite A-polysulfone nanocomposite (ZA-PSf) support membranes cast by wet phase inversion. All three nanocomposite membranes exhibited superior separation performance and interfacial properties relative to hand-cast TFC analogs including: (1) smoother, more hydrophilic surfaces (2) higher water permeability and salt rejection, and (3) improved resistance to physical compaction. Less compaction occurred for membranes with nanoparticles embedded in interfacially polymerized coating films, which adds further proof that flux decline associated with physical compaction is influenced by coating film properties in addition to support membrane properties. The new classes of nanocomposite membrane materials continue to offer promise of further improved RO membranes for use in desalination and advanced water purification. © 2011 Elsevier B.V.

  10. Naphthalene Diimide Based n-Type Conjugated Polymers as Efficient Cathode Interfacial Materials for Polymer and Perovskite Solar Cells.

    Science.gov (United States)

    Jia, Tao; Sun, Chen; Xu, Rongguo; Chen, Zhiming; Yin, Qingwu; Jin, Yaocheng; Yip, Hin-Lap; Huang, Fei; Cao, Yong

    2017-10-18

    A series of naphthalene diimide (NDI) based n-type conjugated polymers with amino-functionalized side groups and backbones were synthesized and used as cathode interlayers (CILs) in polymer and perovskite solar cells. Because of controllable amine side groups, all the resulting polymers exhibited distinct electronic properties such as oxidation potential of side chains, charge carrier mobilities, self-doping behaviors, and interfacial dipoles. The influences of the chemical variation of amine groups on the cathode interfacial effects were further investigated in both polymer and perovskite solar cells. We found that the decreased electron-donating property and enhanced steric hindrance of amine side groups substantially weaken the capacities of altering the work function of the cathode and trap passivation of the perovskite film, which induced ineffective interfacial modifications and declining device performance. Moreover, with further improvement of the backbone design through the incorporation of a rigid acetylene spacer, the resulting polymers substantially exhibited an enhanced electron-transporting property. Upon use as CILs, high power conversion efficiencies (PCEs) of 10.1% and 15.2% were, respectively, achieved in polymer and perovskite solar cells. Importantly, these newly developed n-type polymers were allowed to be processed over a broad thickness range of CILs in photovoltaic devices, and a prominent PCE of over 8% for polymer solar cells and 13.5% for perovskite solar cells can be achieved with the thick interlayers over 100 nm, which is beneficial for roll-to-roll coating processes. Our findings contribute toward a better understanding of the structure-performance relationship between CIL material design and solar cell performance, and provide important insights and guidelines for the design of high-performance n-type CIL materials for organic and perovskite optoelectronic devices.

  11. Tunable anomalous hall effect induced by interfacial catalyst in perpendicular multilayers

    Science.gov (United States)

    Zhang, J. Y.; Peng, W. L.; Sun, Q. Y.; Liu, Y. W.; Dong, B. W.; Zheng, X. Q.; Yu, G. H.; Wang, C.; Zhao, Y. C.; Wang, S. G.

    2018-04-01

    The interfacial structures, playing a critical role on the transport properties and the perpendicular magnetic anisotropy in thin films and multilayers, can be modified by inserting an ultrathin functional layer at the various interfaces. The anomalous Hall effect (AHE) in the multilayers with core structure of Ta/CoFeB/X/MgO/Ta (X: Hf or Pt) is tuned by interfacial catalytic engineering. The saturation anomalous Hall resistance (RAH) is increased by 16.5% with 0.1 nm Hf insertion compared with the reference sample without insertion. However, the RAH value is decreased by 9.0% with 0.1 nm Pt insertion. The interfacial states were characterized by the X-ray photoelectron spectroscopy (XPS). The XPS results indicate that a strong bonding between Hf and O for Hf insertion, but no bonding between Pt and O for Pt insertion. The bonding between metal and oxygen leads to various oxygen migration behavior at the interfaces. Therefore, the opposite behavior about the RAH originates from the different oxygen behavior due to various interfacial insertion. This work provides a new approach to manipulate spin transport property for the potential applications.

  12. One-group interfacial area transport in vertical air-water bubbly flow

    International Nuclear Information System (INIS)

    Wu, Q.; Kim, S.; Ishii, M.; Beus, S.G.

    1997-01-01

    In the two-fluid model for two-phase flows, interfacial area concentration is one of the most important closure relations that should be obtained from careful mechanistic modeling. The objective of this study is to develop a one-group interfacial area transport equation together with the modeling of the source and sink terms due to bubble breakage and coalescence. For bubble coalescence, two mechanisms are considered to be dominant in vertical two-phase bubbly flow. These are the random collisions between bubbles due to turbulence in the flow field, and the wake entrainment process due to the relative motion of the bubbles in the wake region of a seeding bubble. For bubble breakup, the impact of turbulent eddies is considered. These phenomena are modeled individually, resulting in a one-group interfacial area concentration transport equation with certain parameters to be determined from experimental data. Compared to the measured axial distribution of the interfacial area concentration under various flow conditions, these parameters are obtained for the reduced one-group, one-dimensional transport equation. The results indicate that the proposed models for bubble breakup and coalescence are appropriate

  13. Net Neutrality

    DEFF Research Database (Denmark)

    Savin, Andrej

    2017-01-01

    Repealing “net neutrality” in the US will have no bearing on Internet freedom or security there or anywhere else.......Repealing “net neutrality” in the US will have no bearing on Internet freedom or security there or anywhere else....

  14. Diffuse x-ray scattering study of interfacial structure of self-assembled conjugated polymers

    International Nuclear Information System (INIS)

    Wang Jun; Park, Y.J.; Lee, K.-B.; Hong, H.; Davidov, D.

    2002-01-01

    The interfacial structures of self-assembled heterostructures through alternate deposition of conjugated and nonconjugated polymers were studied by x-ray reflectivity and nonspecular scattering. We found that the interfacial width including the effects of both interdiffusion and interfacial roughness (correlated) was mainly contributed by the latter one. The self-assembled deposition induced very small interdiffusion between layers. The lateral correlation length ξ parallel grew as a function of deposition time (or film thickness) described by a power law ξ parallel ∝t β/H and was also observed from the off-specular scattering

  15. Annotating Coloured Petri Nets

    DEFF Research Database (Denmark)

    Lindstrøm, Bo; Wells, Lisa Marie

    2002-01-01

    Coloured Petri nets (CP-nets) can be used for several fundamentally different purposes like functional analysis, performance analysis, and visualisation. To be able to use the corresponding tool extensions and libraries it is sometimes necessary to include extra auxiliary information in the CP......-net. An example of such auxiliary information is a counter which is associated with a token to be able to do performance analysis. Modifying colour sets and arc inscriptions in a CP-net to support a specific use may lead to creation of several slightly different CP-nets – only to support the different uses...... of the same basic CP-net. One solution to this problem is that the auxiliary information is not integrated into colour sets and arc inscriptions of a CP-net, but is kept separately. This makes it easy to disable this auxiliary information if a CP-net is to be used for another purpose. This paper proposes...

  16. Cellular automaton and elastic net for event reconstruction in the NEMO-2 experiment

    International Nuclear Information System (INIS)

    Kisel, I.; Kovalenko, V.; Laplanche, F.

    1997-01-01

    A cellular automaton for track searching combined with an elastic net for charged particle trajectory fitting is presented. The advantages of the methods are: the simplicity of the algorithms, the fast and stable convergency to real tracks, and a good reconstruction efficiency. The combination of techniques have been used with success for event reconstruction on the data of the NEMO-2 double-beta (ββ) decay experiments. (orig.)

  17. Establishing a Quantitative Functional Relationship between Capillary Pressure Saturation and Interfacial Area

    International Nuclear Information System (INIS)

    Carlo Montemagno

    2002-01-01

    We propose to continue our collaborative research focused on advanced technologies for subsurface contamination problems. Our approach combines new multi-phase flow theory, novel laboratory experiments, and non-traditional computational simulators to investigate practical approaches to include interfacial areas in descriptions of subsurface contaminant transport and remediation. Because all inter-phase mass transfer occurs at fluid-fluid interfaces, and it is this inter-phase mass transfer that leads to the difficult, long-term ground-water contamination problems, it is critical to include interfacial behavior in the problem description. This is currently lacking in all standard models of complex ground-water contamination problems. In our earlier project, we developed tools appropriate for inclusion of interfacial areas under equilibrium conditions. These include advanced laboratory techniques and targeted computational experiments that validated certain key theoretical conjecture s. However, it has become clear that to include interfacial behavior fully into a description of the multi-phase flow and contamination problems, the fully dynamic case must be considered. Therefore, we need to develop both experimental and computational tools that can capture the dynamic nature of interfacial movements. Development and application of such tools will allow the theory to be evaluated, and will lead to significant improvements in our understanding of complex subsurface contamination problems, thereby allowing us to develop and evaluate improved remediation technologies

  18. Liquid interfacial water and brines in the upper surface of Mars

    Science.gov (United States)

    Moehlmann, Diedrich

    2013-04-01

    Liquid interfacial water and brines in the upper surface of Mars Diedrich T.F. Möhlmann DLR Institut für Planetenforschung, Rutherfordstr. 2, D - 12489 Berlin, Germany dirk.moehlmann@dlr.de Interfacial water films and numerous brines are known to remain liquid at temperatures far below 0° C. The physical processes behind are described in some detail. Deliquescence, i.e. the liquefaction of hygroscopic salts at the threshold of a specific "Deliquescence Relative Humidity", is shown to be that process, which on present Mars supports the formation of stable interfacial water and bulk liquids in form of temporary brines on and in a salty upper surface of present Mars in a diurnally temporary and repetitive process. Temperature and relative humidity are the governing conditions for deliquescence (and the counterpart "efflorescence") to evolve. The current thermo-dynamical conditions on Mars support these processes to evolve on present Mars. The deliquescence-driven presence of liquid brines in the soil of the upper surface of Mars can expected to be followed by physical and chemical processes like "surface cementation", down-slope flows, and physical and chemical weathering processes. A remarkable and possibly also biologically relevant evolution towards internally interfacial water bearing structures of dendritic capillaries is related to their freezing - thawing driven formation. The internal walls of these network-pores or -tubes can be covered by films of interfacial water, providing that way possibly habitable crack-systems in soil and rock. These evolutionary processes of networks, driven by their tip-growth, can expected to be ongoing also at present.

  19. Hyperbolic tangent variational approximation for interfacial profiles of binary polymer blends

    International Nuclear Information System (INIS)

    Lifschitz, M.; Freed, K.F.; Tang, H.

    1995-01-01

    Contemporary theories of binary polymer blend interfaces incorporate such features of real polymer blends as compressibility, local correlations, monomer structure, etc. However, these theories require complicated numerical schemes, and their solutions often cannot be interpreted in a physically clear fashion. We develop a variational formalism for computing interfacial properties of binary polymer blends based on a hyperbolic tangent representation for the interfaces. While such an analysis is straightforward in the incompressible limit, the extension to compressible binary blends requires two distinct width parameters and nontrivial analysis. When the profile width parameters are chosen to minimize the excess free energy of a phase separated binary blend, then the interfacial properties computed from our simplified interfacial theory closely match those computed with the much more sophisticated (and computationally intensive) treatments. Significant attention is devoted to describing the interfacial properties of blends in the regime intermediate between the strong and the weak segregation limits as well as to extrapolating between these limits. The extension of the square gradient theory to the Tang--Freed quartic approximation provides a more precise definition of the weak segregation limit, but the treatment is found to overestimate both the interfacial tension and width in the strong segregation limit. The width parameters for the different components of a strongly asymmetric compressible blend vary to a lesser extent than an asymptotic analysis in the bulk suggests. This finding indicates that the central portion of the profile contributes the most in the minimization of the excess free energy with respect to the variational width parameters. copyright 1995 American Institute of Physics

  20. Mechanism of the free charge carrier generation in the dielectric breakdown

    Science.gov (United States)

    Rahim, N. A. A.; Ranom, R.; Zainuddin, H.

    2017-12-01

    Many studies have been conducted to investigate the effect of environmental, mechanical and electrical stresses on insulator. However, studies on physical process of discharge phenomenon, leading to the breakdown of the insulator surface are lacking and difficult to comprehend. Therefore, this paper analysed charge carrier generation mechanism that can cause free charge carrier generation, leading toward surface discharge development. Besides, this paper developed a model of surface discharge based on the charge generation mechanism on the outdoor insulator. Nernst’s Planck theory was used in order to model the behaviour of the charge carriers while Poisson’s equation was used to determine the distribution of electric field on insulator surface. In the modelling of surface discharge on the outdoor insulator, electric field dependent molecular ionization was used as the charge generation mechanism. A mathematical model of the surface discharge was solved using method of line technique (MOL). The result from the mathematical model showed that the behaviour of net space charge density was correlated with the electric field distribution.

  1. Charge Transport in Two-Photon Semiconducting Structures for Solar Fuels.

    Science.gov (United States)

    Liu, Guohua; Du, Kang; Haussener, Sophia; Wang, Kaiying

    2016-10-20

    Semiconducting heterostructures are emerging as promising light absorbers and offer effective electron-hole separation to drive solar chemistry. This technology relies on semiconductor composites or photoelectrodes that work in the presence of a redox mediator and that create cascade junctions to promote surface catalytic reactions. Rational tuning of their structures and compositions is crucial to fully exploit their functionality. In this review, we describe the possibilities of applying the two-photon concept to the field of solar fuels. A wide range of strategies including the indirect combination of two semiconductors by a redox couple, direct coupling of two semiconductors, multicomponent structures with a conductive mediator, related photoelectrodes, as well as two-photon cells are discussed for light energy harvesting and charge transport. Examples of charge extraction models from the literature are summarized to understand the mechanism of interfacial carrier dynamics and to rationalize experimental observations. We focus on a working principle of the constituent components and linking the photosynthetic activity with the proposed models. This work gives a new perspective on artificial photosynthesis by taking simultaneous advantages of photon absorption and charge transfer, outlining an encouraging roadmap towards solar fuels. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Effect of Trimethylamine N-Oxide on Interfacial Electrostatics at Phospholipid Monolayer-Water Interfaces and Its Relevance to Cardiovascular Disease.

    Science.gov (United States)

    Mondal, Jahur A

    2016-05-05

    Trimethylamine N-oxide (TMAO), a metabolite of choline containing dietary nutrients which are abundant in red meat, egg, and other animal foods, increases the risk of cardiovascular disease (e.g., atherosclerosis) by boosted accumulation of fatty deposits on artery wall. Hence, for the molecular level elucidation of the pathogenesis of atherosclerosis, it is important to understand the effect of TMAO at the endothelial cell membrane-blood interface (artery wall). Heterodyne-detected vibrational sum frequency generation (HD-VSFG) study of a zwitterionic phosphatidylcholine (PC) lipid monolayer-water interface (mimic of endothelial membrane-blood interface) shows that the interfacial water becomes increasingly H-up oriented in the presence of TMAO in the aqueous phase, revealing a dramatic change in the interfacial electrostatics. Examinations of charged lipid interfaces show that TMAO screens anionic phosphate less effectively than cationic choline, which confirms that TMAO increases the relative influence of the anionic phosphate by preferential screening of the cationic choline at the zwitterionic PC lipid interface where the phosphate and choline groups are simultaneously present. Together, it is conceivable that at an elevated TMAO level in serum would modify the electrostatics at the endothelial cell membrane-blood interface (artery wall), which may affect the influx/efflux of fatty deposits on artery wall, setting the stage for atherosclerosis.

  3. NetSig

    DEFF Research Database (Denmark)

    Horn, Heiko; Lawrence, Michael S; Chouinard, Candace R

    2018-01-01

    Methods that integrate molecular network information and tumor genome data could complement gene-based statistical tests to identify likely new cancer genes; but such approaches are challenging to validate at scale, and their predictive value remains unclear. We developed a robust statistic (Net......Sig) that integrates protein interaction networks with data from 4,742 tumor exomes. NetSig can accurately classify known driver genes in 60% of tested tumor types and predicts 62 new driver candidates. Using a quantitative experimental framework to determine in vivo tumorigenic potential in mice, we found that Net......Sig candidates induce tumors at rates that are comparable to those of known oncogenes and are ten-fold higher than those of random genes. By reanalyzing nine tumor-inducing NetSig candidates in 242 patients with oncogene-negative lung adenocarcinomas, we find that two (AKT2 and TFDP2) are significantly amplified...

  4. Interfacial properties of chitosan/sodium dodecyl sulfate complexes

    Directory of Open Access Journals (Sweden)

    Milinković Jelena R.

    2017-01-01

    Full Text Available Contemporary formulations of cosmetic and pharmaceutical emulsions may be achieved by using combined polymer/surfactant system, which can form complexes with different structure and physicochemical properties. Such complexation can lead to additional stabilization of the emulsion products. For these reasons, the main goal of this study was to investigate the interfacial properties of chitosan/sodium dodecyl sulfate complexes. In order to understand the stabilization mechanism, the interface of the oil/water systems that contained mixtures of chitosan and sodium dodecyl sulfate, was studied by measuring the interfacial tension. Considering the fact that the properties of the oil phase has influence on the adsorption process, three different types of oil were investigated: medium-chain triglycerides (semi-synthetic oil, paraffin oil (mineral oil and natural oil obtained from the grape seed. The surface tension measurements at the oil/water interface, for chitosan water solutions, indicate a poor surface activity of this biopolymer. Addition of sodium dodecyl sulfate to chitosan solution causes a significant decrease in the interfacial tension for all investigated oils. The results of this study are important for understanding the influence of polymer-surfactant interactions on the properties of the solution and stability of dispersed systems. [Project of the Serbian Ministry of Education, Science and Technological Development, Grant no. III46010

  5. Tuning Transpiration by Interfacial Solar Absorber-Leaf Engineering.

    Science.gov (United States)

    Zhuang, Shendong; Zhou, Lin; Xu, Weichao; Xu, Ning; Hu, Xiaozhen; Li, Xiuqiang; Lv, Guangxin; Zheng, Qinghui; Zhu, Shining; Wang, Zhenlin; Zhu, Jia

    2018-02-01

    Plant transpiration, a process of water movement through a plant and its evaporation from aerial parts especially leaves, consumes a large component of the total continental precipitation (≈48%) and significantly influences global water distribution and climate. To date, various chemical and/or biological explorations have been made to tune the transpiration but with uncertain environmental risks. In recent years, interfacial solar steam/vapor generation is attracting a lot of attention for achieving high energy transfer efficiency. Various optical and thermal designs at the solar absorber-water interface for potential applications in water purification, seawater desalination, and power generation appear. In this work, the concept of interfacial solar vapor generation is extended to tunable plant transpiration by showing for the first time that the transpiration efficiency can also be enhanced or suppressed through engineering the solar absorber-leaf interface. By tuning the solar absorption of membrane in direct touch with green leaf, surface temperature of green leaf will change accordingly because of photothermal effect, thus the transpiration efficiency as well as temperature and relative humidity in the surrounding environment will be tuned. This tunable transpiration by interfacial absorber-leaf engineering can open an alternative avenue to regulate local atmospheric temperature, humidity, and eventually hydrologic cycle.

  6. Tuning Transpiration by Interfacial Solar Absorber‐Leaf Engineering

    Science.gov (United States)

    Zhuang, Shendong; Zhou, Lin; Xu, Weichao; Xu, Ning; Hu, Xiaozhen; Li, Xiuqiang; Lv, Guangxin; Zheng, Qinghui; Zhu, Shining

    2017-01-01

    Abstract Plant transpiration, a process of water movement through a plant and its evaporation from aerial parts especially leaves, consumes a large component of the total continental precipitation (≈48%) and significantly influences global water distribution and climate. To date, various chemical and/or biological explorations have been made to tune the transpiration but with uncertain environmental risks. In recent years, interfacial solar steam/vapor generation is attracting a lot of attention for achieving high energy transfer efficiency. Various optical and thermal designs at the solar absorber–water interface for potential applications in water purification, seawater desalination, and power generation appear. In this work, the concept of interfacial solar vapor generation is extended to tunable plant transpiration by showing for the first time that the transpiration efficiency can also be enhanced or suppressed through engineering the solar absorber–leaf interface. By tuning the solar absorption of membrane in direct touch with green leaf, surface temperature of green leaf will change accordingly because of photothermal effect, thus the transpiration efficiency as well as temperature and relative humidity in the surrounding environment will be tuned. This tunable transpiration by interfacial absorber‐leaf engineering can open an alternative avenue to regulate local atmospheric temperature, humidity, and eventually hydrologic cycle. PMID:29619300

  7. Conformal quantum field theory: From Haag-Kastler nets to Wightman fields

    International Nuclear Information System (INIS)

    Joerss, M.

    1996-07-01

    Starting from a chiral conformal Haag-Kastler net of local observables on two-dimensional Minkowski space-time, we construct associated pointlike localizable charged fields which intertwine between the superselection sectors with finite statistics of the theory. This amounts to a proof of the spin-statistics theorem, the PCT theorem, the Bisognano-Wichmann identification of modular operators, Haag duality in the vacuum sector, and the existence of operator product expansions. Our method consists of the explicit use of the representation theory of the universal covering group of SL(2,R). A central role is played by a ''conformal cluster theorem'' for conformal two-point functions in algebraic quantum field theory. Generalizing this ''conformal cluster theorem'' to the n-point functions of Haag-Kastler theories, we can finally construct from a chiral conformal net of algebras a compelte set of conformal n-point functions fulfilling the Wightman axioms. (orig.)

  8. Effect of interfacial stresses in an elastic body with a nanoinclusion

    Science.gov (United States)

    Vakaeva, Aleksandra B.; Grekov, Mikhail A.

    2018-05-01

    The 2-D problem of an infinite elastic solid with a nanoinclusion of a different from circular shape is solved. The interfacial stresses are acting at the interface. Contact of the inclusion with the matrix satisfies the ideal conditions of cohesion. The generalized Laplace - Young law defines conditions at the interface. To solve the problem, Gurtin - Murdoch surface elasticity model, Goursat - Kolosov complex potentials and the boundary perturbation method are used. The problem is reduced to the solution of two independent Riemann - Hilbert's boundary problems. For the circular inclusion, hypersingular integral equation in an unknown interfacial stress is derived. The algorithm of solving this equation is constructed. The influence of the interfacial stress and the dimension of the circular inclusion on the stress distribution and stress concentration at the interface are analyzed.

  9. Interfacial Fluid Mechanics A Mathematical Modeling Approach

    CERN Document Server

    Ajaev, Vladimir S

    2012-01-01

    Interfacial Fluid Mechanics: A Mathematical Modeling Approach provides an introduction to mathematical models of viscous flow used in rapidly developing fields of microfluidics and microscale heat transfer. The basic physical effects are first introduced in the context of simple configurations and their relative importance in typical microscale applications is discussed. Then,several configurations of importance to microfluidics, most notably thin films/droplets on substrates and confined bubbles, are discussed in detail.  Topics from current research on electrokinetic phenomena, liquid flow near structured solid surfaces, evaporation/condensation, and surfactant phenomena are discussed in the later chapters. This book also:  Discusses mathematical models in the context of actual applications such as electrowetting Includes unique material on fluid flow near structured surfaces and phase change phenomena Shows readers how to solve modeling problems related to microscale multiphase flows Interfacial Fluid Me...

  10. Learning Visual Basic NET

    CERN Document Server

    Liberty, Jesse

    2009-01-01

    Learning Visual Basic .NET is a complete introduction to VB.NET and object-oriented programming. By using hundreds of examples, this book demonstrates how to develop various kinds of applications--including those that work with databases--and web services. Learning Visual Basic .NET will help you build a solid foundation in .NET.

  11. A striking performance improvement of fullerene n-channel field-effect transistors via synergistic interfacial modifications

    International Nuclear Information System (INIS)

    Du, Lili; Luo, Xiao; Wen, Zhanwei; Zhang, Jianping; Sun, Lei; Lv, Wenli; Li, Yao; Zhao, Feiyu; Zhong, Junkang; Ren, Qiang; Huang, Fobao; Xia, Hongquan; Peng, Yingquan

    2015-01-01

    For fullerene based n-channel transistors, remarkably improved device characteristics were achieved via charge injection and transport interfacial synergistic modifications using low-cost aluminium source/drain electrodes. Compared with the reference device without any modifications (device A), the as-fabricated transistor (device H) showed a dramatic improvement of saturation mobility from 0.0026 to 0.3078 cm 2 V −1 s −1 with a maximum on–off current ratio of 10 6 and a minimum subthreshold slope of 1.52 V decade −1 . AFM and XRD analysis manifested that the deposited C 60 films on PVA/OTS successive-modified SiO 2 substrate were highly dense polycrystalline and uniform with larger crystalline grain and less grain boundary. A gap state assisted electron injection mechanism was proposed to explicate the enhanced electrical conductivity considering BCP modification for charge injection interface, which has been well corroborated by a diode-based injection experiment and a theoretical calculation of contact resistances. We further demonstrated the application of the concept modification method to enable comparative time-stable operation of fullerene n-channel transistors. Given many key merits, we believed that this general method using multi-interface modifications could be extended to fabricate other n-channel OFETs with superior electrical performance and stability. (paper)

  12. Interfacial solvation thermodynamics

    International Nuclear Information System (INIS)

    Ben-Amotz, Dor

    2016-01-01

    Previous studies have reached conflicting conclusions regarding the interplay of cavity formation, polarizability, desolvation, and surface capillary waves in driving the interfacial adsorptions of ions and molecules at air–water interfaces. Here we revisit these questions by combining exact potential distribution results with linear response theory and other physically motivated approximations. The results highlight both exact and approximate compensation relations pertaining to direct (solute–solvent) and indirect (solvent–solvent) contributions to adsorption thermodynamics, of relevance to solvation at air–water interfaces, as well as a broader class of processes linked to the mean force potential between ions, molecules, nanoparticles, proteins, and biological assemblies. (paper)

  13. The fuel-cladding interfacial friction coefficient in water-cooled reactor fuel rods

    International Nuclear Information System (INIS)

    Smith, E.

    1979-01-01

    A central problem in the development of cladding failure criteria and of effective operational, design or material remedies is to know whether the cladding stress is enhanced significantly near cladding ridges, pellet chips or fuel pellet cracks; the latter may also be coincident with cladding ridges at pellet-pellet interfaces. As regards the fuel pellet crack source of cladding stress concentration, the magnitude of the uranium dioxide-Zircaloy interfacial friction coefficient μ governs the magnitude and distribution of the enhanced cladding stress. Considerable discussion, particularly at a Post-Conference Seminar associated with the SMIRT 4 Conference, has focussed on the value of μ, the author taking the view that it is unlikely to be large (< 0.5). The reasoning behind this view is as follows. A fuel pellet should fracture during a power ramp when the tensile hoop stress within the pellet exceeds the fuel's fracture stress. Since the preferred position for a fuel pellet crack to form is at the fuel-cladding interface midway between existing fuel cracks, where the interfacial shear stress changes sign, the pellet segment size after a power ramp provides a limit to the magnitude of the interfacial shear stresses and consequently to the value of μ. With this argument as a basis, the author's early work used the Gittus fuel rod model, in which there is a symmetric distribution of fuel pellet cracks and symmetric interfacial slippage, to show that μ < 0.5 if it is assumed that the average hoop stress within the cladding attains yield levels. It was therefore suggested that a high interfacial friction coefficient is unlikely to be operative during a power ramp; this result was used to support the view that interfacial friction effects do not play a dominant role in stress corrosion crack formation within the cladding. (orig.)

  14. Water's Interfacial Hydrogen Bonding Structure Reveals the Effective Strength of Surface-Water Interactions.

    Science.gov (United States)

    Shin, Sucheol; Willard, Adam P

    2018-06-05

    We combine all-atom molecular dynamics simulations with a mean field model of interfacial hydrogen bonding to analyze the effect of surface-water interactions on the structural and energetic properties of the liquid water interface. We show that the molecular structure of water at a weakly interacting ( i.e., hydrophobic) surface is resistant to change unless the strength of surface-water interactions are above a certain threshold. We find that below this threshold water's interfacial structure is homogeneous and insensitive to the details of the disordered surface, however, above this threshold water's interfacial structure is heterogeneous. Despite this heterogeneity, we demonstrate that the equilibrium distribution of molecular orientations can be used to quantify the energetic component of the surface-water interactions that contribute specifically to modifying the interfacial hydrogen bonding network. We identify this specific energetic component as a new measure of hydrophilicity, which we refer to as the intrinsic hydropathy.

  15. Electrical properties and interfacial issues of high-k/Si MIS capacitors characterized by the thickness of Al2O3 interlayer

    Directory of Open Access Journals (Sweden)

    Xing Wang

    2016-06-01

    Full Text Available A thin Al2O3 interlayer deposited between La2O3 layer and Si substrate was used to scavenge the interfacial layer (IL by blocking the out-diffusion of substrate Si. Some advantages and disadvantages of this method were discussed in detail. Evident IL reduction corroborated by the transmission electron microscopy results suggested the feasibility of this method in IL scavenging. Significant improvements in oxygen vacancy and leakage current characteristics were achieved as the thickness of Al2O3 interlayer increase. Meanwhile, some disadvantages such as the degradations in interface trap and oxide trapped charge characteristics were also observed.

  16. Improved Interfacial Bonding in Magnesium/Aluminum Overcasting Systems by Aluminum Surface Treatments

    Science.gov (United States)

    Zhang, Hui; Chen, Yiqing; Luo, Alan A.

    2014-12-01

    "Overcasting" technique is used to produce bimetallic magnesium/aluminum (Mg/Al) structures where lightweight Mg can be cast onto solid Al substrates. An inherent difficulty in creating strong Mg/Al interfacial bonding is the natural oxide film on the solid Al surfaces, which reduces the wettability between molten Mg and Al substrates during the casting process. In the paper, an "electropolishing + anodizing" surface treatment has been developed to disrupt the oxide film on a dilute Al-0.08 wt pct Ga alloy, improving the metallurgical bonding between molten Mg and Al substrates in the bimetallic experiments carried out in a high-vacuum test apparatus. The test results provided valuable information of the interfacial phenomena of the Mg/Al bimetallic samples. The results show significantly improved metallurgical bonding in the bimetallic samples with "electropolishing + anodizing" surface treatment and Ga alloying. It is recommended to adjust the pre-heating temperature and time of the Al substrates and the Mg melt temperature to control the interfacial reactions for optimum interfacial properties in the actual overcasting processes.

  17. Interfacial interactions between Skeletonema costatum extracellular organic matter and metal oxides: Implications for ceramic membrane filtration.

    Science.gov (United States)

    Zaouri, Noor; Gutierrez, Leonardo; Dramas, Laure; Garces, Daniel; Croue, Jean-Philippe

    2017-06-01

    In the current study, the interfacial interactions between the high molecular weight (HMW) compounds of Skeletonema costatum (SKC) extracellular organic matter (EOM) and ZrO 2 or Al 2 O 3 , were investigated by atomic force microscopy (AFM). HMW SKC-EOM was rigorously characterized and described as a hydrophilic organic compound mainly comprised of polysaccharide-like structures. Lipids and proteins were also observed, although in lower abundance. HMW SKC-EOM displayed attractive forces during approaching (i.e., leading to jump-to-contact events) and adhesion forces during retracting regime to both metal oxides at all solution conditions tested, where electrostatics and hydrogen bonding were suggested as dominant interacting mechanisms. However, the magnitude of these forces was significantly higher on ZrO 2 surfaces, irrespective of cation type (Na + or Ca 2+ ) or concentration. Interestingly, while HMW SKC-EOM interacting forces to Al 2 O 3 were practically insensitive to solution chemistry, the interactions between ZrO 2 and HMW SKC-EOM increased with increasing cation concentration in solution. The structure, and lower charge, hydrophilicity, and density of hydroxyl groups on ZrO 2 surface would play a key role on favoring zirconia associations with HMW SKC-EOM. The current results contribute to advance our fundamental understanding of Algogenic Organic Matter (AOM) interfacial interactions with metal oxides (i.e., AOM membrane fouling), and would highly assist in the proper selection of membrane material during episodic algal blooms. Copyright © 2017 Elsevier Ltd. All rights reserved.

  18. Interfacial interactions between Skeletonema costatum extracellular organic matter and metal oxides: Implications for ceramic membrane filtration

    KAUST Repository

    Zaouri, Noor A

    2017-03-21

    In the current study, the interfacial interactions between the high molecular weight (HMW) compounds of Skeletonema costatum (SKC) extracellular organic matter (EOM) and ZrO2 or Al2O3, were investigated by atomic force microscopy (AFM). HMW SKC-EOM was rigorously characterized and described as a hydrophilic organic compound mainly comprised of polysaccharide-like structures. Lipids and proteins were also observed, although in lower abundance. HMW SKC-EOM displayed attractive forces during approaching (i.e., leading to jump-to-contact events) and adhesion forces during retracting regime to both metal oxides at all solution conditions tested, where electrostatics and hydrogen bonding were suggested as dominant interacting mechanisms. However, the magnitude of these forces was significantly higher on ZrO2 surfaces, irrespective of cation type (Na+ or Ca2+) or concentration. Interestingly, while HMW SKC-EOM interacting forces to Al2O3 were practically insensitive to solution chemistry, the interactions between ZrO2 and HMW SKC-EOM increased with increasing cation concentration in solution. The structure, and lower charge, hydrophilicity, and density of hydroxyl groups on ZrO2 surface would play a key role on favoring zirconia associations with HMW SKC-EOM. The current results contribute to advance our fundamental understanding of Algogenic Organic Matter (AOM) interfacial interactions with metal oxides (i.e., AOM membrane fouling), and would highly assist in the proper selection of membrane material during episodic algal blooms.

  19. Interfacial structures and energetics of the strengthening precipitate phase in creep-resistant Mg-Nd-based alloys.

    Science.gov (United States)

    Choudhuri, D; Banerjee, R; Srinivasan, S G

    2017-01-17

    The extraordinary creep-resistance of Mg-Nd-based alloys can be correlated to the formation of nanoscale-platelets of β 1 -Mg 3 Nd precipitates, that grow along 〈110〉 Mg in bulk hcp-Mg and on dislocation lines. The growth kinetics of β 1 is sluggish even at high temperatures, and presumably occurs via vacancy migration. However, the rationale for the high-temperature stability of precipitate-matrix interfaces and observed growth direction is unknown, and may likely be related to the interfacial structure and excess energy. Therefore, we study two interfaces- {112} β1 /{100} Mg and {111} β1 /{110} Mg - that are commensurate with β 1 /hcp-Mg orientation relationship via first principles calculations. We find that β 1 acquires plate-like morphology to reduce small lattice strain via the formation of energetically favorable {112} β1 /{100} Mg interfaces, and predict that β 1 grows along 〈110〉 Mg on dislocation lines due to the migration of metastable {111} β1 /{110} Mg . Furthermore, electronic charge distribution of the two interfaces studied here indicated that interfacial-energy of coherent precipitates is sensitive to the population of distorted lattice sites, and their spatial extent in the vicinity of interfaces. Our results have implications for alloy design as they suggest that formation of β 1 -like precipitates in the hcp-Mg matrix will require well-bonded coherent interface along precipitate broad-faces, while simultaneously destabilizing other interfaces.

  20. Interfacial interactions between Skeletonema costatum extracellular organic matter and metal oxides: Implications for ceramic membrane filtration

    KAUST Repository

    Zaouri, Noor A.; Gutierrez, Leonardo; Dramas, Laure; Garces, Daniel; Croue, Jean-Philippe

    2017-01-01

    In the current study, the interfacial interactions between the high molecular weight (HMW) compounds of Skeletonema costatum (SKC) extracellular organic matter (EOM) and ZrO2 or Al2O3, were investigated by atomic force microscopy (AFM). HMW SKC-EOM was rigorously characterized and described as a hydrophilic organic compound mainly comprised of polysaccharide-like structures. Lipids and proteins were also observed, although in lower abundance. HMW SKC-EOM displayed attractive forces during approaching (i.e., leading to jump-to-contact events) and adhesion forces during retracting regime to both metal oxides at all solution conditions tested, where electrostatics and hydrogen bonding were suggested as dominant interacting mechanisms. However, the magnitude of these forces was significantly higher on ZrO2 surfaces, irrespective of cation type (Na+ or Ca2+) or concentration. Interestingly, while HMW SKC-EOM interacting forces to Al2O3 were practically insensitive to solution chemistry, the interactions between ZrO2 and HMW SKC-EOM increased with increasing cation concentration in solution. The structure, and lower charge, hydrophilicity, and density of hydroxyl groups on ZrO2 surface would play a key role on favoring zirconia associations with HMW SKC-EOM. The current results contribute to advance our fundamental understanding of Algogenic Organic Matter (AOM) interfacial interactions with metal oxides (i.e., AOM membrane fouling), and would highly assist in the proper selection of membrane material during episodic algal blooms.

  1. The effect of hole transporting layer in charge accumulation properties of p-i-n perovskite solar cells

    Directory of Open Access Journals (Sweden)

    Fedros Galatopoulos

    2017-07-01

    Full Text Available The charge accumulation properties of p-i-n perovskite solar cells were investigated using three representative organic and inorganic hole transporting layer (HTL: (a Poly(3,4-ethylenedioxythiophene-poly(styrenesulfonate (PEDOT:PSS, Al 4083, (b copper-doped nickel oxide (Cu:NiOx, and (c Copper oxide (CuO. Through impedance spectroscopy analysis and modelling, it is shown that charge accumulation is decreased in the HTL/perovskite interface, between PEDOT:PSS to Cu:NiOx and CuO. This was indicative from the decrease in double layer capacitance (Cdl and interfacial charge accumulation capacitance (Cel, resulting in an increase to recombination resistance (Rrec, thus decreased charge recombination events between the three HTLs. Through AFM measurements, it is also shown that the reduced recombination events (followed by the increase in Rrec are also a result of increased grain size between the three HTLs, thus reduction in the grain boundary area. These charge accumulation properties of the three HTLs have resulted in an increase to the power conversion efficiency between the PEDOT:PSS (8.44%, Cu:NiOx (11.45%, and CuO (15.3%-based devices.

  2. Improvement of the interfacial Dzyaloshinskii-Moriya interaction by introducing a Ta buffer layer

    NARCIS (Netherlands)

    Kim, N.H.; Han, D.S.; Jung, J.; Cho, J.; Kim, J.S.; Swagten, H.J.M.; You, C.Y.

    2015-01-01

    We report systematic measurements of the interfacial Dzyaloshinskii-Moriya interaction (iDMI) by employing Brillouin light scattering in Pt/Co/AlOx and Ta/Pt/Co/AlOx structures. By introducing a tantalum buffer layer, the saturation magnetization and the interfacial perpendicular magnetic anisotropy

  3. Curvature Dependence of Interfacial Properties for Associating Lennard—Jones Fluids: A Density Functional Study

    International Nuclear Information System (INIS)

    Sun Zong-Li; Kang Yan-Shuang

    2011-01-01

    Classical density functional theory is used to study the associating Lennard—Jones fluids in contact with spherical hard wall of different curvature radii. The interfacial properties including contact density and fluid-solid interfacial tension are investigated. The influences of associating energy, curvature of hard wall and the bulk density of fluids on these properties are analyzed in detail. The results may provide helpful clues to understand the interfacial properties of other complex fluids. (condensed matter: structure, mechanical and thermal properties)

  4. Electronic charge rearrangement at metal/organic interfaces induced by weak van der Waals interactions

    Science.gov (United States)

    Ferri, Nicola; Ambrosetti, Alberto; Tkatchenko, Alexandre

    2017-07-01

    Electronic charge rearrangements at interfaces between organic molecules and solid surfaces play a key role in a wide range of applications in catalysis, light-emitting diodes, single-molecule junctions, molecular sensors and switches, and photovoltaics. It is common to utilize electrostatics and Pauli pushback to control the interface electronic properties, while the ubiquitous van der Waals (vdW) interactions are often considered to have a negligible direct contribution (beyond the obvious structural relaxation). Here, we apply a fully self-consistent Tkatchenko-Scheffler vdW density functional to demonstrate that the weak vdW interactions can induce sizable charge rearrangements at hybrid metal/organic systems (HMOS). The complex vdW correlation potential smears out the interfacial electronic density, thereby reducing the charge transfer in HMOS, changes the interface work functions by up to 0.2 eV, and increases the interface dipole moment by up to 0.3 Debye. Our results suggest that vdW interactions should be considered as an additional control parameter in the design of hybrid interfaces with the desired electronic properties.

  5. Charge transport mechanisms of graphene/semiconductor Schottky barriers: A theoretical and experimental study

    International Nuclear Information System (INIS)

    Zhong, Haijian; Liu, Zhenghui; Xu, Gengzhao; Shi, Lin; Fan, Yingmin; Yang, Hui; Xu, Ke; Wang, Jianfeng; Ren, Guoqiang

    2014-01-01

    Graphene has been proposed as a material for semiconductor electronic and optoelectronic devices. Understanding the charge transport mechanisms of graphene/semiconductor Schottky barriers will be crucial for future applications. Here, we report a theoretical model to describe the transport mechanisms at the interface of graphene and semiconductors based on conventional semiconductor Schottky theory and a floating Fermi level of graphene. The contact barrier heights can be estimated through this model and be close to the values obtained from the experiments, which are lower than those of the metal/semiconductor contacts. A detailed analysis reveals that the barrier heights are as the function of the interface separations and dielectric constants, and are influenced by the interfacial states of semiconductors. Our calculations show how this behavior of lowering barrier heights arises from the Fermi level shift of graphene induced by the charge transfer owing to the unique linear electronic structure

  6. Pro-Nets versus No-Nets: Differences in Urban Older Adults' Predilections for Internet Use

    Science.gov (United States)

    Cresci, M. Kay; Yarandi, Hossein N.; Morrell, Roger W.

    2010-01-01

    Enthusiasm for information technology (IT) is growing among older adults. Many older adults enjoy IT and the Internet (Pro-Nets), but others have no desire to use it (No-Nets). This study found that Pro-Nets and No-Nets were different on a number of variables that might predict IT use. No-Nets were older, had less education and income, were…

  7. Molecular dynamics simulation of thin film interfacial strength dependency on lattice mismatch

    International Nuclear Information System (INIS)

    Yang, Zhou; Lian, Jie; Wang, Junlan

    2013-01-01

    Laser-induced thin film spallation experiments have been previously developed to characterize the intrinsic interfacial strength of thin films. In order to gain insights of atomic level thin film debonding processes and the interfacial strength dependence on film/substrate lattice structures, in this study, molecular dynamics simulations of thin film interfacial failure under laser-induced stress waves were performed. Various loading amplitudes and pulse durations were employed to identify the optimum simulation condition. Stress propagation as a function of time was revealed in conjunction with the interface structures. Parametric studies confirmed that while the interfacial strength between a thin film and a substrate does not depend on the film thickness and the duration of the laser pulse, a thicker film and a shorter duration do provide advantage to effectively load the interface to failure. With the optimized simulation condition, further studies were focused on bulk Au/Au bi-crystals with mismatched orientations, and Ni/Al, Cu/Al, Cu/Ag and Cu/Au bi-crystals with mismatched lattices. The interfacial strength was found to decrease with increasing orientation mismatch and lattice mismatch but more significantly dominated by the bonding elements' atomic structure and valence electron occupancy. - Highlights: • Molecular dynamics simulation was done on stress wave induced thin film spallation. • Atomic structure was found to be a primary strength determining factor. • Lattice mismatch was found to be a secondary strength determining factor

  8. Molecular dynamics study of interfacial thermal transport between silicene and substrates.

    Science.gov (United States)

    Zhang, Jingchao; Hong, Yang; Tong, Zhen; Xiao, Zhihuai; Bao, Hua; Yue, Yanan

    2015-10-07

    In this work, the interfacial thermal transport across silicene and various substrates, i.e., crystalline silicon (c-Si), amorphous silicon (a-Si), crystalline silica (c-SiO2) and amorphous silica (a-SiO2) are explored by classical molecular dynamics (MD) simulations. A transient pulsed heating technique is applied in this work to characterize the interfacial thermal resistance in all hybrid systems. It is reported that the interfacial thermal resistances between silicene and all substrates decrease nearly 40% with temperature from 100 K to 400 K, which is due to the enhanced phonon couplings from the anharmonicity effect. Analysis of phonon power spectra of all systems is performed to interpret simulation results. Contradictory to the traditional thought that amorphous structures tend to have poor thermal transport capabilities due to the disordered atomic configurations, it is calculated that amorphous silicon and silica substrates facilitate the interfacial thermal transport compared with their crystalline structures. Besides, the coupling effect from substrates can improve the interface thermal transport up to 43.5% for coupling strengths χ from 1.0 to 2.0. Our results provide fundamental knowledge and rational guidelines for the design and development of the next-generation silicene-based nanoelectronics and thermal interface materials.

  9. Effect of reactive compatibilization on the interfacial slip in Nylon-6/EPR blends

    NARCIS (Netherlands)

    Puyvelde, van P.C.J.; Oommen, Z.; Koets, P.P.; Groeninckx, G.; Moldenaers, P.

    2003-01-01

    The viscosity of uncompatibilized polymer blends often shows a negative deviation from a log-additivity rule at shear rates relevant to processing. This deviation has been attributed to interfacial slip, which is related to the loss of entanglements at the interface. In this work interfacial slip

  10. Ion distributions at charged aqueous surfaces: Synchrotron X-ray scattering studies

    Energy Technology Data Exchange (ETDEWEB)

    Bu, Wei [Iowa State Univ., Ames, IA (United States)

    2009-01-01

    Surface sensitive synchrotron X-ray scattering studies were performed to obtain the distribution of monovalent ions next to a highly charged interface at room temperature. To control surface charge density, lipids, dihexadecyl hydrogen-phosphate (DHDP) and dimysteroyl phosphatidic acid (DMPA), were spread as monolayer materials at the air/water interface, containing CsI at various concentrations. Five decades in bulk concentrations (CsI) are investigated, demonstrating that the interfacial distribution is strongly dependent on bulk concentration. We show that this is due to the strong binding constant of hydronium H3O+ to the phosphate group, leading to proton-transfer back to the phosphate group and to a reduced surface charge. Using anomalous reflectivity off and at the L3 Cs+ resonance, we provide spatial counterion (Cs+) distributions next to the negatively charged interfaces. The experimental ion distributions are in excellent agreement with a renormalized surface charge Poisson-Boltzmann theory for monovalent ions without fitting parameters or additional assumptions. Energy Scans at four fixed momentum transfers under specular reflectivity conditions near the Cs+ L3 resonance were conducted on 10-3 M CsI with DHDP monolayer materials on the surface. The energy scans exhibit a periodic dependence on photon momentum transfer. The ion distributions obtained from the analysis are in excellent agreement with those obtained from anomalous reflectivity measurements, providing further confirmation to the validity of the renormalized surface charge Poisson-Boltzmann theory for monovalent ions. Moreover, the dispersion corrections f0 and f00 for Cs+ around L3 resonance, revealing the local environment of a Cs+ ion in the solution at the interface, were extracted simultaneously with output of ion distributions.

  11. Self-healing sandwich structures incorporating an interfacial layer with vascular network

    International Nuclear Information System (INIS)

    Chen, Chunlin; Peters, Kara; Li, Yulong

    2013-01-01

    A self-healing capability specifically targeted for sandwich composite laminates based on interfacial layers with built-in vascular networks is presented. The self-healing occurs at the facesheet–core interface through an additional interfacial layer to seal facesheet cracks and rebond facesheet–core regions. The efficacy of introducing the self-healing system at the facesheet–core interface is evaluated through four-point bend and edgewise compression testing of representative foam core sandwich composite specimens with impact induced damage. The self-healing interfacial layer partially restored the specific initial stiffness, doubling the residual initial stiffness as compared to the control specimen after the impact event. The restoration of the ultimate specific skin strength was less successful. The results also highlight the critical challenge in self-healing of sandwich composites, which is to rebond facesheets which have separated from the core material. (paper)

  12. Experiments and simulation of a net closing mechanism for tether-net capture of space debris

    Science.gov (United States)

    Sharf, Inna; Thomsen, Benjamin; Botta, Eleonora M.; Misra, Arun K.

    2017-10-01

    This research addresses the design and testing of a debris containment system for use in a tether-net approach to space debris removal. The tether-net active debris removal involves the ejection of a net from a spacecraft by applying impulses to masses on the net, subsequent expansion of the net, the envelopment and capture of the debris target, and the de-orbiting of the debris via a tether to the chaser spacecraft. To ensure a debris removal mission's success, it is important that the debris be successfully captured and then, secured within the net. To this end, we present a concept for a net closing mechanism, which we believe will permit consistently successful debris capture via a simple and unobtrusive design. This net closing system functions by extending the main tether connecting the chaser spacecraft and the net vertex to the perimeter and around the perimeter of the net, allowing the tether to actuate closure of the net in a manner similar to a cinch cord. A particular embodiment of the design in a laboratory test-bed is described: the test-bed itself is comprised of a scaled-down tether-net, a supporting frame and a mock-up debris. Experiments conducted with the facility demonstrate the practicality of the net closing system. A model of the net closure concept has been integrated into the previously developed dynamics simulator of the chaser/tether-net/debris system. Simulations under tether tensioning conditions demonstrate the effectiveness of the closure concept for debris containment, in the gravity-free environment of space, for a realistic debris target. The on-ground experimental test-bed is also used to showcase its utility for validating the dynamics simulation of the net deployment, and a full-scale automated setup would make possible a range of validation studies of other aspects of a tether-net debris capture mission.

  13. Second harmonic generation study of malachite green adsorption at the interface between air and an electrolyte solution: observing the effect of excess electrical charge density at the interface.

    Science.gov (United States)

    Song, Jinsuk; Kim, Mahn Won

    2010-03-11

    Understanding the differential adsorption of ions at the interface of an electrolyte solution is very important because it is closely related, not only to the fundamental aspects of biological systems, but also to many industrial applications. We have measured the excess interfacial negative charge density at air-electrolyte solution interfaces by using resonant second harmonic generation of oppositely charged probe molecules. The excess charge density increased with the square root of the bulk electrolyte concentration. A new adsorption model that includes the electrostatic interaction between adsorbed molecules is proposed to explain the measured adsorption isotherm, and it is in good agreement with the experimental results.

  14. The interfacial strength of carbon nanofiber epoxy composite using single fiber pullout experiments.

    Science.gov (United States)

    Manoharan, M P; Sharma, A; Desai, A V; Haque, M A; Bakis, C E; Wang, K W

    2009-07-22

    Carbon nanotubes and nanofibers are extensively researched as reinforcing agents in nanocomposites for their multifunctionality, light weight and high strength. However, it is the interface between the nanofiber and the matrix that dictates the overall properties of the nanocomposite. The current trend is to measure elastic properties of the bulk nanocomposite and then compare them with theoretical models to extract the information on the interfacial strength. The ideal experiment is single fiber pullout from the matrix because it directly measures the interfacial strength. However, the technique is difficult to apply to nanocomposites because of the small size of the fibers and the requirement for high resolution force and displacement sensing. We present an experimental technique for measuring the interfacial strength of nanofiber-reinforced composites using the single fiber pullout technique and demonstrate the technique for a carbon nanofiber-reinforced epoxy composite. The experiment is performed in situ in a scanning electron microscope and the interfacial strength for the epoxy composite was measured to be 170 MPa.

  15. Engineering Interfacial Energetics: A Novel Hybrid System of Metal Oxide Quantum Dots and Cobalt Complex for Photocatalytic Water Oxidation

    International Nuclear Information System (INIS)

    Niu, Fujun; Shen, Shaohua; Wang, Jian; Guo, Liejin

    2016-01-01

    Graphical abstract: A cobalt complex engineers the interfacial energetics of metal oxide quantum dots (n- or p-type) and electrolytes for highly efficient O_2 generation under visible light irradiation. - Highlights: • A noble-metal-free hybrid photocatalytic system using a single-site cobalt catalyst was developed for O_2 generation. • Considerable activity and excellent stability for O_2 production were achieved by this novel system. • CoSlp engineered the QDs/electrolyte interfacical energetics for efficient hole transfer. - Abstract: Here we reported a novel hybrid photocatalytic water oxidation system, containing metal oxide (n-Fe_2O_3 or p-Co_3O_4) quantum dots (QDs) as light harvester, a salophen cobalt(II) complex (CoSlp) as redox catalyst and persulfate (S_2O_8"2"−) as sacrificial electron acceptor, for oxygen generation from fully aqueous solution. The n-Fe_2O_3 QDs/CoSlp and p-Co_3O_4 QDs/CoSlp systems exhibited good O_2 evolution performances, giving turnover numbers (TONs) of ca. 33 and ca. 35 over CoSlp after visible light irradiation for 72 h, respectively. The excellent photocatalytic performance could be ascribed to the efficient hole transfer from QDs to CoSlp catalyst, leading to reduced photogenerated charge recombination, as well as the CoSlp engineered interfacial band bending of QDs, increasing the driving force or decreasing the energy barrier for hole transfer and then benefiting the following O_2 generation at the QDs/electrolyte interface. The present work successfully demonstrated a novel hybrid system for photocatalytic O_2 evolution from fully aqueous solution; and the essential role of cobalt complexes in engineering the interfacial energetics of semiconductors (n- or p-type) and electrolytes could be informative for designing efficient systems for solar water splitting.

  16. A biomimetic approach to enhancing interfacial interactions: polydopamine-coated clay as reinforcement for epoxy resin.

    Science.gov (United States)

    Yang, Liping; Phua, Si Lei; Teo, Jun Kai Herman; Toh, Cher Ling; Lau, Soo Khim; Ma, Jan; Lu, Xuehong

    2011-08-01

    A facile biomimetic method was developed to enhance the interfacial interaction in polymer-layered silicate nanocomposites. By mimicking mussel adhesive proteins, a monolayer of polydopamine was constructed on clay surface by a controllable coating method. The modified clay (D-clay) was incorporated into an epoxy resin, it is found that the strong interfacial interactions brought by the polydopamine benefits not only the dispersion of the D-clay in the epoxy but also the effective interfacial stress transfer, leading to greatly improved thermomechanical properties at very low inorganic loadings. Rheological and infrared spectroscopic studies show that the interfacial interactions between the D-clay and epoxy are dominated by the hydrogen bonds between the catechol-enriched polydopamine and the epoxy.

  17. Interfacial stability of soil covers on lined surface impoundments

    International Nuclear Information System (INIS)

    Mitchell, D.H.; Gates, T.E.

    1986-04-01

    The factors affecting the interfacial stability of soil covers on geomembranes were examined to determine the maximum stable slopes for soil cover/geomembrane systems. Several instances of instability of soil covers on geomembranes have occurred at tailings ponds, leaving exposed geomembranes with the potential for physical ddamage and possibly chemical and ultraviolet degradation. From an operator's viewpoint, it is desirable to maximize the slope of lined facilities in order to maximize the volume-to-area ratio; however, the likelihood for instability also increases with increasing slope. Frictional data obtained from direct shear tests are compared with stability data obtained using a nine-square-meter (m 2 ) engineering-scale test stand to verify that direct shear test data are valid in slope design calculations. Interfacial frictional data from direct shear tests using high-density polyethylene and a poorly graded sand cover agree within several degrees with the engineering-scale tests. Additional tests with other soils and geomembranes are planned. The instability of soil covers is not always an interfacial problem; soil erosion and limited drainage capacity are additional factors that must be considered in the design of covered slopes. 7 refs., 5 figs., 2 tabs

  18. Coupling of order parameters, chirality, and interfacial structures in multiferroic materials.

    Science.gov (United States)

    Conti, Sergio; Müller, Stefan; Poliakovsky, Arkady; Salje, Ekhard K H

    2011-04-13

    We study optimal interfacial structures in multiferroic materials with a biquadratic coupling between two order parameters. We discover a new duality relation between the strong coupling and the weak coupling regime for the case of isotropic gradient terms. We analyze the phase diagram depending on the coupling constant and anisotropy of the gradient term, and show that in a certain regime the secondary order parameter becomes activated only in the interfacial region.

  19. Evaluating interfacial shear stresses in composite hollo

    Directory of Open Access Journals (Sweden)

    Aiham Adawi

    2016-09-01

    Full Text Available Analytical evaluation of the interfacial shear stresses for composite hollowcore slabs with concrete topping is rare in the literature. Adawi et al. (2014 estimated the interfacial shear stiffness coefficient (ks that governs the behavior of the interface between hollowcore slabs and the concrete topping using push-off tests. This parameter is utilized in this paper to provide closed form solutions for the differential equations governing the behavior of simply supported composite hollowcore slabs. An analytical solution based on the deformation compatibility of the composite section and elastic beam theory, is developed to evaluate the shear stresses along the interface. Linear finite element modeling of the full-scale tests presented in Adawi et al. (2015 is also conducted to validate the developed analytical solution. The proposed analytical solution was found to be adequate in estimating the magnitude of horizontal shear stress in the studied composite hollowcore slabs.

  20. An Investigation of Interfacial Fatigue in Fiber Reinforced Composites

    Science.gov (United States)

    Yanhua, Chen; Zhifei, Shi

    2005-09-01

    Based on the shear-lag model and the modified degradation formula for coefficient of friction, the interfacial fatigue and debonding for fiber reinforced composites under cyclic loading are studied. The loading condition is chosen as the kind that is the most frequently used in fiber-pull-out experiments. The stress components in the debonded and bonded regions are obtained according to the maximum and minimum applied loading. By the aid of theory of fracture mechanics and Paris formula, the governing equation is solved numerically and the interfacial debonding is simulated. The relationships between the parameters (such as the debond rate, debond length, debond force) and the number of cycles are obtained.